rel-(5aR,7S,8aR)-4-benzoyl-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0151 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-N-[(3-methoxyphenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | COc1cccc(CNC([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)C(c2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5368 |
| logD: | 1.5368 |
| logSw: | -2.1495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.838 |
| InChI Key: | UCMPWLDGZDDCKD-ZVDOUQERSA-N |