rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0543 |
| Compound Name: | rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 381.36 |
| Molecular Formula: | C17 H18 F3 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)C(c2ccccc2C(F)(F)F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6156 |
| logD: | 0.6152 |
| logSw: | -2.2352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.353 |
| InChI Key: | LOQINAHKPBDTAB-VXGBXAGGSA-N |