5-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
5-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8009-4993 |
| Compound Name: | 5-{4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid |
| Molecular Weight: | 479.71 |
| Molecular Formula: | C20 H16 Br Cl N2 O5 |
| Smiles: | CC1/C(=C/c2cc(c(cc2[Br])OC)OC)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7191 |
| logD: | -0.0839 |
| logSw: | -3.9076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.256 |
| InChI Key: | HQELASUKFYEFGP-UHFFFAOYSA-N |