2-{5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid
Chemical Structure Depiction of
2-{5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid
2-{5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid
Compound characteristics
| Compound ID: | 3331-1825 |
| Compound Name: | 2-{5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid |
| Molecular Weight: | 337.41 |
| Molecular Formula: | C15 H15 N O4 S2 |
| Smiles: | CC(C)C(C(O)=O)N1C(/C(=C/c2cccc(c2)O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4238 |
| logD: | -0.3964 |
| logSw: | -2.3907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.7 |
| InChI Key: | KYMQJVKZKTWEJE-LBPRGKRZSA-N |