rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(methanesulfonyl)piperidin-4-yl]-N,N-dimethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(methanesulfonyl)piperidin-4-yl]-N,N-dimethylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(methanesulfonyl)piperidin-4-yl]-N,N-dimethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5419 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(methanesulfonyl)piperidin-4-yl]-N,N-dimethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 472.53 |
| Molecular Formula: | C21 H27 F3 N4 O3 S |
| Smiles: | CN(C)C([C@@H]1CN(C[C@H]1C1CCN(CC1)S(C)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 1.6617 |
| logD: | 1.6617 |
| logSw: | -2.8157 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.184 |
| InChI Key: | BQEDIOWBHKSEOY-MSOLQXFVSA-N |