4-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | Y070-0264 |
| Compound Name: | 4-(5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C23 H18 F N3 O3 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)F)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6378 |
| logD: | 0.8242 |
| logSw: | -3.8819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.709 |
| InChI Key: | DQOUIKBMHUZGKO-UHFFFAOYSA-N |