2-chloro-5-{3-methyl-5-oxo-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{3-methyl-5-oxo-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{3-methyl-5-oxo-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8008-7085 |
| Compound Name: | 2-chloro-5-{3-methyl-5-oxo-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 406.83 |
| Molecular Formula: | C21 H15 Cl N4 O3 |
| Smiles: | CC1/C(=C/c2c[nH]nc2c2ccccc2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6128 |
| logD: | -0.1903 |
| logSw: | -3.8913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.185 |
| InChI Key: | OMYVHMCCTVKDAO-UHFFFAOYSA-N |