rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(ethanesulfonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(ethanesulfonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(ethanesulfonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5177 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(ethanesulfonyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 472.53 |
| Molecular Formula: | C21 H27 F3 N4 O3 S |
| Smiles: | CCS(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9524 |
| logD: | 1.9524 |
| logSw: | -2.8483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.421 |
| InChI Key: | LEFHFGBTRGKWAQ-MSOLQXFVSA-N |