C38h37n3o8 hîn nehatiye destnîşankirin
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 663.72 | - |
| Dendik (texmîn kirin) | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 8.27 ± 0.10 | Temana herî acid: 25 ° C |
Smiles canonical o = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) (c5 = cc = c = c5) c6 = c5) c = c6) c (o) C3
Isomeric bişirîn
C (OC [C @ H] 1o [C @ H] 1o) N2C = C (= o) nc2 = c4) (c5 = cc = c = c5) c6 = cc = cc = c 6
Inchi
Inchi = 1s / c38h37n3o8 / c1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-12-26,38-15-19-30 (47-30) 20-16-28) 48-24-33-32 (42) 21-34 (49-33) 4 1-23-31 (36 (44) 45) 35 (43) 45) 35 (43) 39-22-10-32-34,42h, 21-22,24h2,1-2h3, (h, 39,43) (H, 40,44,45) / T32-
, 33 +, 34 + / M0 / S1
Keyeya Inchi
NZBGrVlZiSurb-Lbfzijhgsa-n
| Taybetmendiyên berdest |
| Bedirî |
| Taybetmendiyên berdest |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 5250 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 5250 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 5260 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 5260 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 5250 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 5200 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 4720 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2460 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 466 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 96.9 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 16000 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 16000 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 16000 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 16000 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 16000 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 15800 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 14400 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 7510 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 1420 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 296 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | PH 3; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logd | 5.20 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 5.19 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 5.15 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.87 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.15 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.46 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 9.3 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.3 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.3 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.3 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.3 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.3 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.3 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.0 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 x 10-5 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.4 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-8 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekul | 663.72 | ||
| pka | 8.27 ± 0.10 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -1.66 ± 0.20 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 508.6 ± 3.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 13 | (1) ACD | |
| H qebûlkar | 11 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 663.72 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 136 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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