rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Compound characteristics
| Compound ID: | S948-5222 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C19 H25 F3 N4 O3 S |
| Smiles: | CN(C)S(N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9705 |
| logD: | 1.9705 |
| logSw: | -2.8998 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.135 |
| InChI Key: | FRRXMHKDROKOFE-CRAIPNDOSA-N |