rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethoxyphenyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethoxyphenyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethoxyphenyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S964-0168 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-ethoxyphenyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C23 H24 F3 N3 O3 |
| Smiles: | CCOc1ccc(cc1)NC([C@H]1CN(C[C@@H]1COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8647 |
| logD: | 3.8646 |
| logSw: | -3.9804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.619 |
| InChI Key: | DOQNYHJACUQCJO-OXJNMPFZSA-N |