rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0291 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(methylsulfanyl)acetyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C24 H29 F3 N4 O2 S |
| Smiles: | CSCC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC1CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1859 |
| logD: | 3.1859 |
| logSw: | -3.389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.571 |
| InChI Key: | WITINGAGJLIXMS-VQTJNVASSA-N |