3-(5-chloro-2-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(5-chloro-2-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
3-(5-chloro-2-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D155-0042 |
| Compound Name: | 3-(5-chloro-2-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one |
| Molecular Weight: | 394.64 |
| Molecular Formula: | C17 H10 Cl3 N3 O2 |
| Smiles: | C(=C(/C(c1ccc(cc1[Cl])[Cl])=O)n1cncn1)\c1cc(ccc1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7463 |
| logD: | 3.9757 |
| logSw: | -4.7581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.959 |
| InChI Key: | WXEXVKLGBYGOBU-UHFFFAOYSA-N |