rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(propane-1-sulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(propane-1-sulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(propane-1-sulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5174 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(propane-1-sulfonyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C22 H29 F3 N4 O3 S |
| Smiles: | CCCS(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: | 2.2987 |
| logD: | 2.2987 |
| logSw: | -3.0287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.421 |
| InChI Key: | SRFPYHYMPIMRAA-MOPGFXCFSA-N |