rel-(5aR,8aR)-7-(3,4-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3,4-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3,4-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0807 |
| Compound Name: | rel-(5aR,8aR)-7-(3,4-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 294.3 |
| Molecular Formula: | C15 H16 F2 N2 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(c1ccc(c(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0599 |
| logD: | 1.0599 |
| logSw: | -2.0048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.881 |
| InChI Key: | BSGHMAZBIIPHAY-GXFFZTMASA-N |