1-{2-[4-(trifluoromethoxy)phenyl]-5-(3,4,5-trimethoxyanilino)-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(trifluoromethoxy)phenyl]-5-(3,4,5-trimethoxyanilino)-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{2-[4-(trifluoromethoxy)phenyl]-5-(3,4,5-trimethoxyanilino)-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D216-0150 |
| Compound Name: | 1-{2-[4-(trifluoromethoxy)phenyl]-5-(3,4,5-trimethoxyanilino)-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C20 H19 F3 N4 O5 |
| Smiles: | CC(c1c(Nc2cc(c(c(c2)OC)OC)OC)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.56 |
| logD: | 3.56 |
| logSw: | -3.861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.635 |
| InChI Key: | ZUEHEHVFWNWWEV-UHFFFAOYSA-N |