6-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Chemical Structure Depiction of
6-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
6-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Compound characteristics
| Compound ID: | Y070-0042 |
| Compound Name: | 6-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)c1c(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0422 |
| logD: | 2.214 |
| logSw: | -4.2948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.709 |
| InChI Key: | WBGJSFNQIYFLQJ-UHFFFAOYSA-N |