3-{4-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8014-5496 |
| Compound Name: | 3-{4-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 473.44 |
| Molecular Formula: | C25 H19 N3 O7 |
| Smiles: | CCOc1cc(\C=C2/C(c3ccccc3)=NN(C2=O)c2cccc(c2)C(O)=O)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8853 |
| logD: | 1.9995 |
| logSw: | -4.4423 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.32 |
| InChI Key: | FLRGWAPKGAYXJQ-UHFFFAOYSA-N |