4-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}butanoic acid
Chemical Structure Depiction of
4-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}butanoic acid
4-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}butanoic acid
Compound characteristics
| Compound ID: | 2279-3529 |
| Compound Name: | 4-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}butanoic acid |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C17 H19 N O6 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7616 |
| logD: | -1.052 |
| logSw: | -2.1465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | QLCIOGTYGQXGSC-UHFFFAOYSA-N |