rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonamide
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonamide
Compound characteristics
| Compound ID: | S948-0218 |
| Compound Name: | rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonamide |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C19 H25 F3 N4 O3 S |
| Smiles: | CN(C)S(N1C[C@H]2CN(CC[C@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8799 |
| logD: | 1.8799 |
| logSw: | -2.8221 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.135 |
| InChI Key: | QIJRHZDXBGVFGP-CRAIPNDOSA-N |