rel-(5aR,9aR)-8-[(3-chlorophenyl)acetyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-[(3-chlorophenyl)acetyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-[(3-chlorophenyl)acetyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0405 |
| Compound Name: | rel-(5aR,9aR)-8-[(3-chlorophenyl)acetyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 363.84 |
| Molecular Formula: | C18 H22 Cl N3 O3 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)C(Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.7551 |
| logD: | 0.7551 |
| logSw: | -2.389 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.741 |
| InChI Key: | MNMVTCFCEITIGW-GJZGRUSLSA-N |