rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylpropyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylpropyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylpropyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0638 |
| Compound Name: | rel-(5aR,7S,8aR)-N~4~-benzyl-N~7~-(2-methylpropyl)-2-oxooctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CC(C)CNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4805 |
| logD: | 1.4805 |
| logSw: | -1.8698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.709 |
| InChI Key: | CQWZAJVXMNUHGZ-KSZLIROESA-N |