rel-(3R,4R)-N-(3-chloro-4-methoxyphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-(3-chloro-4-methoxyphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-N-(3-chloro-4-methoxyphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S964-0151 |
| Compound Name: | rel-(3R,4R)-N-(3-chloro-4-methoxyphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 467.87 |
| Molecular Formula: | C22 H21 Cl F3 N3 O3 |
| Smiles: | COC[C@H]1CN(C[C@@H]1C(Nc1ccc(c(c1)[Cl])OC)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 4.0063 |
| logD: | 4.0013 |
| logSw: | -4.5285 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.125 |
| InChI Key: | LLOICSIIBNVZSA-PBHICJAKSA-N |