2-chloro-5-{3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 2082-0262 |
| Compound Name: | 2-chloro-5-{3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 430.84 |
| Molecular Formula: | C21 H19 Cl N2 O6 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)OC)OC)OC)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5196 |
| logD: | -0.2835 |
| logSw: | -3.8135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.973 |
| InChI Key: | HWVSETMSQJDWQX-UHFFFAOYSA-N |