rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0218 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 468.54 |
| Molecular Formula: | C22 H27 F3 N4 O2 S |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(CSC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4485 |
| logD: | 2.4485 |
| logSw: | -2.9782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.936 |
| InChI Key: | MGEKUVQQZCRLQQ-ZWKOTPCHSA-N |