rel-(5aR,7S,8aR)-N-[(2,5-difluorophenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(2,5-difluorophenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(2,5-difluorophenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0234 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(2,5-difluorophenyl)methyl]-4-(oxane-4-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C22 H27 F2 N3 O4 |
| Smiles: | C1COCCC1C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1cc(ccc1F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3851 |
| logD: | 1.3851 |
| logSw: | -2.1362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.395 |
| InChI Key: | XJOGSFVBWIVORM-IDHHARJASA-N |