1-{5-(3,4-dimethoxyanilino)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-(3,4-dimethoxyanilino)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-(3,4-dimethoxyanilino)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8018-6034 |
| Compound Name: | 1-{5-(3,4-dimethoxyanilino)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 422.36 |
| Molecular Formula: | C19 H17 F3 N4 O4 |
| Smiles: | CC(c1c(Nc2ccc(c(c2)OC)OC)n(c2ccc(cc2)OC(F)(F)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7395 |
| logD: | 3.7395 |
| logSw: | -4.1683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.69 |
| InChI Key: | AZNNRYSYRXLRLN-UHFFFAOYSA-N |