rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(2,5-dimethylphenyl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(2,5-dimethylphenyl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(2,5-dimethylphenyl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0607 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-[(2,5-dimethylphenyl)methyl]-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | Cc1ccc(C)c(CNC([C@H]2C[C@@H]3CN(CC(N[C@@H]3C2)=O)C(NCc2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8854 |
| logD: | 2.8854 |
| logSw: | -3.1866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.438 |
| InChI Key: | FZMPJWFXAAUPBV-WWNPGLIZSA-N |