rel-(5aR,7S,8aR)-4-benzoyl-2-oxo-N-[3-(piperidin-1-yl)propyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-2-oxo-N-[3-(piperidin-1-yl)propyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-2-oxo-N-[3-(piperidin-1-yl)propyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0111 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-2-oxo-N-[3-(piperidin-1-yl)propyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C24 H34 N4 O3 |
| Smiles: | C1CCN(CC1)CCCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.982 |
| logD: | -1.6722 |
| logSw: | -1.8633 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.119 |
| InChI Key: | NJCCOAGDVTZVHJ-HBMCJLEFSA-N |