rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-ethyl-2-oxo-N~7~-(propan-2-yl)octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-ethyl-2-oxo-N~7~-(propan-2-yl)octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-ethyl-2-oxo-N~7~-(propan-2-yl)octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0665 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-ethyl-2-oxo-N~7~-(propan-2-yl)octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C22 H32 N4 O3 |
| Smiles: | CCN(C(C)C)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7419 |
| logD: | 1.7418 |
| logSw: | -2.1789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.975 |
| InChI Key: | KFHDTJPBDGYALG-OTWHNJEPSA-N |