rel-(5aR,7S,8aR)-N-benzyl-2-oxo-7-[4-(propan-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-benzyl-2-oxo-7-[4-(propan-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-N-benzyl-2-oxo-7-[4-(propan-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0631 |
| Compound Name: | rel-(5aR,7S,8aR)-N-benzyl-2-oxo-7-[4-(propan-2-yl)piperazine-1-carbonyl]octahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C24 H35 N5 O3 |
| Smiles: | CC(C)N1CCN(CC1)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0831 |
| logD: | 0.3813 |
| logSw: | -1.8917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.536 |
| InChI Key: | IERAUATYQVFMOG-HBMCJLEFSA-N |