4-(4-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-5361 |
| Compound Name: | 4-(4-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 517.33 |
| Molecular Formula: | C23 H21 Br N2 O7 |
| Smiles: | CCOC(COc1cc(c(/C=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)cc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0259 |
| logD: | 0.6307 |
| logSw: | -3.0266 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.37 |
| InChI Key: | GRXLQRADOREFQU-UHFFFAOYSA-N |