3-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 1611-2448 |
| Compound Name: | 3-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C14 H13 N O5 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 0.8414 |
| logD: | -1.6912 |
| logSw: | -1.885 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.255 |
| InChI Key: | QDLPDGYOWIZQAQ-UHFFFAOYSA-N |