rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5493 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 490.59 |
| Molecular Formula: | C25 H29 F3 N4 O S |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)Cc1cccs1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 3.8827 |
| logD: | 3.4981 |
| logSw: | -3.8051 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.77 |
| InChI Key: | UWFRNQCBXANPLQ-YADHBBJMSA-N |