rel-(5aR,7S,8aR)-4-benzoyl-N-(2-methylpropyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-N-(2-methylpropyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-N-(2-methylpropyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0109 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-N-(2-methylpropyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CC(C)CNC([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.35 |
| logD: | 1.35 |
| logSw: | -2.0025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.566 |
| InChI Key: | XNXQPEFJBRDXAI-BBWFWOEESA-N |