4-(4-{[2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-6909 |
| Compound Name: | 4-(4-{[2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | CCOC(COc1ccccc1/C=C1/C(C)=NN(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3977 |
| logD: | 1.0025 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.74 |
| InChI Key: | RWTWYIXQHPSOAD-UHFFFAOYSA-N |