3-{4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3172-0765 |
| Compound Name: | 3-{4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C19 H15 Br N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)[Br])OC)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8844 |
| logD: | 0.9985 |
| logSw: | -4.0906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.625 |
| InChI Key: | XIIADXAZCISBKY-UHFFFAOYSA-N |