rel-(5aR,7S,8aR)-N~7~-[(2-chlorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~7~-[(2-chlorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~7~-[(2-chlorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0745 |
| Compound Name: | rel-(5aR,7S,8aR)-N~7~-[(2-chlorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 406.91 |
| Molecular Formula: | C20 H27 Cl N4 O3 |
| Smiles: | CCCNC(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0609 |
| logD: | 2.0608 |
| logSw: | -2.8524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.551 |
| InChI Key: | YQLCFIJVVFAPMK-BFYDXBDKSA-N |