rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S964-0191 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 431.46 |
| Molecular Formula: | C23 H24 F3 N3 O2 |
| Smiles: | Cc1ccc(CNC([C@H]2CN(C[C@@H]2COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3951 |
| logD: | 3.3951 |
| logSw: | -3.7293 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.817 |
| InChI Key: | FZOAQDJYHGXGPX-AZUAARDMSA-N |