1-{5-(4-ethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-(4-ethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-(4-ethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0161 |
| Compound Name: | 1-{5-(4-ethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 406.36 |
| Molecular Formula: | C19 H17 F3 N4 O3 |
| Smiles: | CCOc1ccc(cc1)Nc1c(C(C)=O)nn(c2ccc(cc2)OC(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5484 |
| logD: | 4.5484 |
| logSw: | -4.2634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.781 |
| InChI Key: | CSGVLKBNDDKKJH-UHFFFAOYSA-N |