rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-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-[(2-methoxyethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Compound characteristics
| Compound ID: | S947-0433 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(2-methoxyethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C21 H29 F3 N4 O4 S |
| Smiles: | CN(C)S(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4792 |
| logD: | 1.4792 |
| logSw: | -2.5172 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.407 |
| InChI Key: | RMDGYEVXMAPLDM-XLIONFOSSA-N |