rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(dimethylsulfamoyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(dimethylsulfamoyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(dimethylsulfamoyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0220 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(dimethylsulfamoyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C21 H28 F3 N5 O3 S |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)S(N(C)C)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4972 |
| logD: | 1.4972 |
| logSw: | -2.615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.613 |
| InChI Key: | QMHSSAAMQOIXGL-ZWKOTPCHSA-N |