rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5468 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(methylsulfanyl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 482.57 |
| Molecular Formula: | C23 H29 F3 N4 O2 S |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(CSC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.856 |
| logD: | 2.856 |
| logSw: | -3.2583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.412 |
| InChI Key: | UIRJEVJDFCHOMX-MOPGFXCFSA-N |