3-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3697-0063 |
| Compound Name: | 3-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 534.08 |
| Molecular Formula: | C18 H9 Br2 F3 N2 O4 |
| Smiles: | C(=C1/C(C(F)(F)F)=NN(C1=O)c1cccc(c1)C(O)=O)\c1cc(c(c(c1)[Br])O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6799 |
| logD: | 1.7941 |
| logSw: | -4.5424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.301 |
| InChI Key: | BDGKRRGVOMGZHW-UHFFFAOYSA-N |