rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)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-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
Compound characteristics
| Compound ID: | S947-0350 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C22 H29 F3 N4 O3 S |
| Smiles: | CN(C)S(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9473 |
| logD: | 2.9473 |
| logSw: | -3.3114 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.397 |
| InChI Key: | DLQZDGUFSGWPBX-NQIIRXRSSA-N |