rel-(3aR,7aS)-5-[(3,5-difluorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[(3,5-difluorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-5-[(3,5-difluorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0734 |
| Compound Name: | rel-(3aR,7aS)-5-[(3,5-difluorophenyl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 374.45 |
| Molecular Formula: | C17 H24 F2 N2 O3 S |
| Smiles: | COC[C@]12CCN(Cc3cc(cc(c3)F)F)C[C@@H]2CN(C1)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8573 |
| logD: | 1.2823 |
| logSw: | -2.1579 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.764 |
| InChI Key: | DWNPKHWISJNXIK-RHSMWYFYSA-N |