rel-(5aR,7S,8aR)-4-benzoyl-N-[(2,5-difluorophenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-benzoyl-N-[(2,5-difluorophenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-benzoyl-N-[(2,5-difluorophenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0131 |
| Compound Name: | rel-(5aR,7S,8aR)-4-benzoyl-N-[(2,5-difluorophenyl)methyl]-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 427.45 |
| Molecular Formula: | C23 H23 F2 N3 O3 |
| Smiles: | C1[C@@H](C[C@@H]2[C@H]1CN(CC(N2)=O)C(c1ccccc1)=O)C(NCc1cc(ccc1F)F)=O |
| Stereo: | RELATIVE |
| logP: | 2.0206 |
| logD: | 2.0206 |
| logSw: | -2.7025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.295 |
| InChI Key: | XOOWXWDTRYBDJQ-WRWLIDTKSA-N |