rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methylphenyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methylphenyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methylphenyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5023 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methylphenyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | Cc1ccc(CC(N2CCC(CC2)[C@@H]2CN(C[C@H]2C(N)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 3.5102 |
| logD: | 3.5102 |
| logSw: | -3.7311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.888 |
| InChI Key: | NICAVUYRWOAYBG-XZOQPEGZSA-N |