2-chloro-5-{3-methyl-5-oxo-4-[(2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{3-methyl-5-oxo-4-[(2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{3-methyl-5-oxo-4-[(2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3448-7561 |
| Compound Name: | 2-chloro-5-{3-methyl-5-oxo-4-[(2-oxo-1,2-dihydroquinolin-3-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | CC1/C(=C\C2=Cc3ccccc3NC2=O)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3297 |
| logD: | -0.4734 |
| logSw: | -3.6458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.873 |
| InChI Key: | QOMPWXBJYIGNBR-OQLLNIDSSA-N |