rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-ethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-ethylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-ethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0437 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(ethanesulfonyl)-N-ethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C22 H29 F3 N4 O3 S |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)S(CC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3662 |
| logD: | 2.3662 |
| logSw: | -3.028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.896 |
| InChI Key: | IXIDWXKOPDMWCY-RBUKOAKNSA-N |