4-(4-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y500-0962 |
| Compound Name: | 4-(4-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 535.39 |
| Molecular Formula: | C27 H23 Br N2 O5 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)c(cc1OCc1ccccc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8707 |
| logD: | 2.4755 |
| logSw: | -4.6406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.519 |
| InChI Key: | KRYWCMSOYAQMTJ-UHFFFAOYSA-N |