rel-(5aR,7S,8aR)-N~7~-[(2,4-difluorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N~7~-[(2,4-difluorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
rel-(5aR,7S,8aR)-N~7~-[(2,4-difluorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide
Compound characteristics
| Compound ID: | SB46-0730 |
| Compound Name: | rel-(5aR,7S,8aR)-N~7~-[(2,4-difluorophenyl)methyl]-2-oxo-N~4~-propyloctahydrocyclopenta[e][1,4]diazepine-4,7(1H)-dicarboxamide |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C20 H26 F2 N4 O3 |
| Smiles: | CCCNC(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1ccc(cc1F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6927 |
| logD: | 1.6927 |
| logSw: | -2.3498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.551 |
| InChI Key: | QWMIIHROWZDEAM-CKEIUWERSA-N |