3-{4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | Y509-0376 |
| Compound Name: | 3-{4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C21 H19 Br N2 O4 |
| Smiles: | CCCOc1ccc(cc1/C=C1/C(C)=NN(C1=O)c1cccc(c1)C(O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4112 |
| logD: | 2.5254 |
| logSw: | -5.283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.499 |
| InChI Key: | AZZUYYBTTMFOIJ-UHFFFAOYSA-N |