1-[rel-(3aR,7aS)-5-[(2,4-difluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(2,4-difluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(2,4-difluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-0979 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(2,4-difluorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 324.37 |
| Molecular Formula: | C17 H22 F2 N2 O2 |
| Smiles: | CC(N1C[C@@H]2CCN(Cc3ccc(cc3F)F)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3812 |
| logD: | 0.3093 |
| logSw: | -1.8384 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.369 |
| InChI Key: | HASPRQWVGBWXIL-RHSMWYFYSA-N |