rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0081 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C21 H25 F3 N4 O2 S |
| Smiles: | CSCC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(N)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2674 |
| logD: | 2.2674 |
| logSw: | -3.0173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.16 |
| InChI Key: | TXWZEXWCGXZHOO-DLBZAZTESA-N |