rel-(5aR,7S,8aR)-4-benzoyl-N-cyclobutyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-N-cyclobutyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-N-cyclobutyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0108 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-N-cyclobutyl-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | C1CC(C1)NC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7619 |
| logD: | 0.7619 |
| logSw: | -1.8265 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.351 |
| InChI Key: | XLHPOVHLEJHWQP-UXLLHSPISA-N |