4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2804 |
| Compound Name: | 4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 424.81 |
| Molecular Formula: | C20 H16 Cl F3 N2 O3 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2cccc(c2)C(F)(F)F)cc(c1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4703 |
| logD: | 5.4306 |
| logSw: | -5.6248 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.276 |
| InChI Key: | MKXUBQJWZFRVPX-UHFFFAOYSA-N |