rel-(5aR,8aR)-7-{[4-(trifluoromethyl)phenyl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-{[4-(trifluoromethyl)phenyl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-{[4-(trifluoromethyl)phenyl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0072 |
| Compound Name: | rel-(5aR,8aR)-7-{[4-(trifluoromethyl)phenyl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H19 F3 N2 O |
| Smiles: | C1CC(N[C@H]2CN(Cc3ccc(cc3)C(F)(F)F)C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1934 |
| logD: | 0.5115 |
| logSw: | -2.6434 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.9655 |
| InChI Key: | MVGGKLADHDEAMF-GXTWGEPZSA-N |