rel-(5aR,9aR)-8-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0479 |
| Compound Name: | rel-(5aR,9aR)-8-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)C(c1cc(c2cccc(c2)OC)n[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6564 |
| logD: | 0.6559 |
| logSw: | -2.1966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.302 |
| InChI Key: | BFODQGOQHVONIS-QAPCUYQASA-N |