1-{5-[2-bromo-4-(trifluoromethoxy)anilino]-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[2-bromo-4-(trifluoromethoxy)anilino]-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[2-bromo-4-(trifluoromethoxy)anilino]-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D112-0023 |
| Compound Name: | 1-{5-[2-bromo-4-(trifluoromethoxy)anilino]-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 475.65 |
| Molecular Formula: | C17 H11 Br Cl F3 N4 O2 |
| Smiles: | CC(c1c(Nc2ccc(cc2[Br])OC(F)(F)F)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4922 |
| logD: | 5.4922 |
| logSw: | -5.9719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.731 |
| InChI Key: | WOTSTONMAIDHLM-UHFFFAOYSA-N |