3-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 4476-4169 |
| Compound Name: | 3-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C20 H15 N3 O3 S3 |
| Smiles: | C(CN1C(/C(=C/c2cn(c3ccccc3)nc2c2cccs2)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.205 |
| logD: | 0.6724 |
| logSw: | -3.2781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.727 |
| InChI Key: | YWLDDBSYVUMQCK-UHFFFAOYSA-N |