4-[rel-(3aR,7aR)-5-(4-fluorobenzene-1-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(4-fluorobenzene-1-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(4-fluorobenzene-1-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0170 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(4-fluorobenzene-1-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C23 H23 F4 N3 O3 S |
| Smiles: | COC[C@@]12CN(C[C@H]2CCN(C1)S(c1ccc(cc1)F)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7388 |
| logD: | 3.7388 |
| logSw: | -3.9762 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.777 |
| InChI Key: | WPRVDTPOOJXQOJ-VGSWGCGISA-N |