rel-(5aR,8aR)-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0027 |
| Compound Name: | rel-(5aR,8aR)-2-oxo-N-{[4-(trifluoromethoxy)phenyl]methyl}octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 371.36 |
| Molecular Formula: | C17 H20 F3 N3 O3 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(NCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9915 |
| logD: | 1.9915 |
| logSw: | -2.3224 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.961 |
| InChI Key: | FXMKHPJRQQWJRZ-GXTWGEPZSA-N |