2-chloro-5-{4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 4588-0155 |
| Compound Name: | 2-chloro-5-{4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C20 H17 Cl N2 O4 |
| Smiles: | CCOc1ccc(\C=C2/C(C)=NN(C2=O)c2ccc(c(c2)C(O)=O)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1395 |
| logD: | 0.3364 |
| logSw: | -4.3132 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.119 |
| InChI Key: | NBVRNTNHGHNDCU-UHFFFAOYSA-N |