4-(4-{[5-bromo-2-(carboxymethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[5-bromo-2-(carboxymethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[5-bromo-2-(carboxymethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y510-7054 |
| Compound Name: | 4-(4-{[5-bromo-2-(carboxymethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 459.25 |
| Molecular Formula: | C20 H15 Br N2 O6 |
| Smiles: | CC1/C(=C\c2cc(ccc2OCC(O)=O)[Br])C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.712 |
| logD: | -0.5254 |
| logSw: | -3.986 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.96 |
| InChI Key: | HVKKPBYRSZFOAT-UHFFFAOYSA-N |