3-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y070-0432 |
| Compound Name: | 3-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C22 H16 F N3 O3 S2 |
| Smiles: | C(CN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)F)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2848 |
| logD: | 0.7522 |
| logSw: | -3.4585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.709 |
| InChI Key: | IZOKLBXVSSQTRB-UHFFFAOYSA-N |