3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Chemical Structure Depiction of
3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Compound characteristics
Compound ID: | 1697-1309 |
Compound Name: | 3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid |
Molecular Weight: | 497.53 |
Molecular Formula: | C26 H19 N5 O4 S |
Smiles: | COc1ccc(cc1)c1csc(n1)N1C(C(/C(c2ccccc2)=N1)=N/Nc1cccc(c1)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.4797 |
logD: | 3.3975 |
logSw: | -5.6936 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 91.618 |
InChI Key: | TYSQGXNXCSFZGS-UHFFFAOYSA-N |