[rel-(3aR,7aS)-5-[(2,3-difluorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(2,3-difluorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
[rel-(3aR,7aS)-5-[(2,3-difluorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Compound characteristics
| Compound ID: | S858-1958 |
| Compound Name: | [rel-(3aR,7aS)-5-[(2,3-difluorophenyl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol |
| Molecular Weight: | 360.42 |
| Molecular Formula: | C16 H22 F2 N2 O3 S |
| Smiles: | CS(N1C[C@@H]2CCN(Cc3cccc(c3F)F)C[C@@]2(C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.402 |
| logD: | 0.8093 |
| logSw: | -2.0357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.456 |
| InChI Key: | GBHYXLMSRQPYFU-CZUORRHYSA-N |