rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5032 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 474.5 |
| Molecular Formula: | C25 H26 F4 N4 O |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)Cc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5266 |
| logD: | 3.1817 |
| logSw: | -3.7593 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.5 |
| InChI Key: | SWCPBUWEQBIJHA-YADHBBJMSA-N |