rel-(3R,4R)-N-benzyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-benzyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-N-benzyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S964-0172 |
| Compound Name: | rel-(3R,4R)-N-benzyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C25 H28 F3 N3 O2 |
| Smiles: | CC(C)N(Cc1ccccc1)C([C@H]1CN(C[C@@H]1COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.169 |
| logD: | 4.169 |
| logSw: | -4.3823 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.359 |
| InChI Key: | SOIQJKKBCDSYGB-RBBKRZOGSA-N |