rel-(3R,4R)-N-(4-chloro-2-fluorophenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-(4-chloro-2-fluorophenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-N-(4-chloro-2-fluorophenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S964-0188 |
| Compound Name: | rel-(3R,4R)-N-(4-chloro-2-fluorophenyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 455.84 |
| Molecular Formula: | C21 H18 Cl F4 N3 O2 |
| Smiles: | COC[C@H]1CN(C[C@@H]1C(Nc1ccc(cc1F)[Cl])=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4162 |
| logD: | 4.2859 |
| logSw: | -4.6456 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.797 |
| InChI Key: | MUBDPSPHHYIKAO-CJNGLKHVSA-N |