3-(4-{[2-(benzyloxy)-5-bromophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[2-(benzyloxy)-5-bromophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[2-(benzyloxy)-5-bromophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-5299 |
| Compound Name: | 3-(4-{[2-(benzyloxy)-5-bromophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 491.34 |
| Molecular Formula: | C25 H19 Br N2 O4 |
| Smiles: | CC1/C(=C\c2cc(ccc2OCc2ccccc2)[Br])C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9301 |
| logD: | 3.0442 |
| logSw: | -5.4847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.309 |
| InChI Key: | QGFKRBXKIWNSFM-HYARGMPZSA-N |