5-{4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
5-{4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 2082-0226 |
| Compound Name: | 5-{4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoic acid |
| Molecular Weight: | 449.69 |
| Molecular Formula: | C19 H14 Br Cl N2 O4 |
| Smiles: | CC1/C(=C/c2cc(ccc2OC)[Br])C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.565 |
| logD: | 0.7619 |
| logSw: | -4.4368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.625 |
| InChI Key: | FYISOKAIHAJGAQ-UHFFFAOYSA-N |