rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-butyl-N~7~-ethyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-butyl-N~7~-ethyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-butyl-N~7~-ethyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0629 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-butyl-N~7~-ethyl-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C23 H34 N4 O3 |
| Smiles: | CCCCN(CC)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3314 |
| logD: | 2.3314 |
| logSw: | -2.6663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.21 |
| InChI Key: | HACSAINYXNQPLI-ZCNNSNEGSA-N |