rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Compound characteristics
| Compound ID: | S947-0577 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide |
| Molecular Weight: | 460.52 |
| Molecular Formula: | C20 H27 F3 N4 O3 S |
| Smiles: | CCOC[C@]12CN(C[C@@H]2CCN(C1)S(N(C)C)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3228 |
| logD: | 2.3228 |
| logSw: | -2.953 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.77 |
| InChI Key: | DIYHTGXOJVZMCM-APWZRJJASA-N |