rel-(5aR,8aR)-7-[(3,4-difluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3,4-difluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3,4-difluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0054 |
| Compound Name: | rel-(5aR,8aR)-7-[(3,4-difluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C15 H18 F2 N2 O |
| Smiles: | C1CC(N[C@H]2CN(Cc3ccc(c(c3)F)F)C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5461 |
| logD: | 0.9469 |
| logSw: | -2.2036 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.9655 |
| InChI Key: | LABOAIHXDXSATM-SMDDNHRTSA-N |