rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0405 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 482.57 |
| Molecular Formula: | C23 H29 F3 N4 O2 S |
| Smiles: | CN(C)C([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(CSC)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.4777 |
| logD: | 2.4777 |
| logSw: | -2.99 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.102 |
| InChI Key: | IJDLAALZADKLOM-RBUKOAKNSA-N |