2-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Chemical Structure Depiction of
2-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
2-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Compound characteristics
| Compound ID: | 1951-2577 |
| Compound Name: | 2-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C20 H14 Cl N5 O3 S |
| Smiles: | CC1\C(C(N(c2nc(cs2)c2ccc(cc2)[Cl])N=1)=O)=N/Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1986 |
| logD: | 2.6563 |
| logSw: | -5.8811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.821 |
| InChI Key: | USYSKAGSYWEZQY-JJIBRWJFSA-N |