1-{5-(2,5-diethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-(2,5-diethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-(2,5-diethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0172 |
| Compound Name: | 1-{5-(2,5-diethoxyanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C21 H21 F3 N4 O4 |
| Smiles: | CCOc1ccc(c(c1)Nc1c(C(C)=O)nn(c2ccc(cc2)OC(F)(F)F)n1)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.9887 |
| logD: | 4.9887 |
| logSw: | -4.6361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.293 |
| InChI Key: | LWXLOEADZQDBLW-UHFFFAOYSA-N |