3-(4-{[4-(benzyloxy)-2,3-dibromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[4-(benzyloxy)-2,3-dibromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[4-(benzyloxy)-2,3-dibromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y500-0849 |
| Compound Name: | 3-(4-{[4-(benzyloxy)-2,3-dibromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 614.29 |
| Molecular Formula: | C27 H22 Br2 N2 O5 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)c(c(c1OCc1ccccc1)[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3106 |
| logD: | 3.4248 |
| logSw: | -5.3937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.606 |
| InChI Key: | HSNOIUMXNJVEMX-UHFFFAOYSA-N |