rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0175 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 472.53 |
| Molecular Formula: | C21 H27 F3 N4 O3 S |
| Smiles: | CCS(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8978 |
| logD: | 1.8978 |
| logSw: | -2.8396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.421 |
| InChI Key: | LGRZQBIIENEOIB-ZWKOTPCHSA-N |