rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(piperidin-1-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(piperidin-1-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(piperidin-1-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0680 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-[2-(piperidin-1-yl)ethyl]octahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C24 H35 N5 O3 |
| Smiles: | C1CCN(CC1)CCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9894 |
| logD: | -0.8185 |
| logSw: | -1.7355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.262 |
| InChI Key: | AISSANXIOYPIGO-HBMCJLEFSA-N |