rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0616 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-2-oxo-N~7~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CCCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0359 |
| logD: | 1.0359 |
| logSw: | -1.897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.551 |
| InChI Key: | NKKWKIQBLWPINR-BBWFWOEESA-N |