rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5461 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 478.56 |
| Molecular Formula: | C25 H33 F3 N4 O2 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C1CCOCC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8147 |
| logD: | 1.1965 |
| logSw: | -3.1556 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.213 |
| InChI Key: | CHNLTNHASGCDNB-FCHUYYIVSA-N |