3-{4-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | Y509-1572 |
| Compound Name: | 3-{4-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 541.14 |
| Molecular Formula: | C19 H14 Br I N2 O4 |
| Smiles: | CC1/C(=C/c2cc(cc(c2OC)I)[Br])C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.171 |
| logD: | 2.2851 |
| logSw: | -4.9243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.712 |
| InChI Key: | WDPCBFRIGNQMIW-UHFFFAOYSA-N |