rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S964-0141 |
| Compound Name: | rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C22 H21 Cl F3 N3 O2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC([C@H]1CN(C[C@@H]1COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 4.5181 |
| logD: | 4.5149 |
| logSw: | -4.5696 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.797 |
| InChI Key: | OBUAPGQPGXMIHF-WBVHZDCISA-N |