rel-(3R,4R)-4-(1-benzoylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-(1-benzoylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-(1-benzoylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5488 |
| Compound Name: | rel-(3R,4R)-4-(1-benzoylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H29 F3 N4 O2 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(c1ccccc1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3519 |
| logD: | 3.3519 |
| logSw: | -3.578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.667 |
| InChI Key: | XRMWAJAGVXOSCT-XZOQPEGZSA-N |