2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Chemical Structure Depiction of
2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Compound characteristics
| Compound ID: | 1652-1209 |
| Compound Name: | 2-(2-{3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | CC1\C(C(N(c2nc(cs2)c2ccc(C)cc2)N=1)=O)=N/Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0272 |
| logD: | 2.485 |
| logSw: | -5.3616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.821 |
| InChI Key: | QRKHXSZEZKGJDS-HKOYGPOVSA-N |