1-{1-(4-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{1-(4-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{1-(4-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D112-0038 |
| Compound Name: | 1-{1-(4-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 398.75 |
| Molecular Formula: | C17 H11 Cl F4 N4 O |
| Smiles: | CC(c1c(Nc2cc(ccc2F)C(F)(F)F)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9945 |
| logD: | 4.9945 |
| logSw: | -5.23 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.795 |
| InChI Key: | DHDQKIHUAANEJC-UHFFFAOYSA-N |