4-(4-{[3-chloro-5-ethoxy-4-(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-{[3-chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[3-chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-5257 |
| Compound Name: | 4-(4-{[3-chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 486.91 |
| Molecular Formula: | C24 H23 Cl N2 O7 |
| Smiles: | CCOC(COc1c(cc(/C=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)cc1[Cl])OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2084 |
| logD: | 1.8132 |
| logSw: | -4.4106 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.036 |
| InChI Key: | SDSFXKRZXQANGK-UHFFFAOYSA-N |