rel-(3aR,7aR)-2-[(3,4-difluorophenyl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[(3,4-difluorophenyl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-[(3,4-difluorophenyl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0550 |
| Compound Name: | rel-(3aR,7aR)-2-[(3,4-difluorophenyl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 266.29 |
| Molecular Formula: | C14 H16 F2 N2 O |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(Cc2ccc(c(c2)F)F)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0981 |
| logD: | -2.8159 |
| logSw: | -2.147 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0791 |
| InChI Key: | MDERZVLSIXLIHN-MNOVXSKESA-N |