rel-(5aR,7S,8aR)-4-benzoyl-N-{3-[methyl(phenyl)amino]propyl}-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-N-{3-[methyl(phenyl)amino]propyl}-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-N-{3-[methyl(phenyl)amino]propyl}-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0157 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-N-{3-[methyl(phenyl)amino]propyl}-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | CN(CCCNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(c1ccccc1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.528 |
| logD: | 1.5224 |
| logSw: | -2.1169 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.341 |
| InChI Key: | XOSCAVDTSNUYKQ-QZNHQXDQSA-N |