3-{4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3172-0532 |
| Compound Name: | 3-{4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C20 H17 Cl N2 O5 |
| Smiles: | CCOc1cc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)cc(c1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.551 |
| logD: | 1.6652 |
| logSw: | -4.4974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.684 |
| InChI Key: | YENOJXZQNOPYJV-UHFFFAOYSA-N |