rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(thiophen-3-yl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(thiophen-3-yl)methyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(thiophen-3-yl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0190 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(thiophen-3-yl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 476.56 |
| Molecular Formula: | C24 H27 F3 N4 O S |
| Smiles: | CNC([C@@H]1CN(Cc2ccsc2)C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2694 |
| logD: | 1.5536 |
| logSw: | -3.3874 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.295 |
| InChI Key: | KNXVFANRLUWVAQ-LEWJYISDSA-N |