3-{5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 4659-0064 |
| Compound Name: | 3-{5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C12 H11 N O4 S2 |
| Smiles: | Cc1ccc(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.5031 |
| logD: | -1.0295 |
| logSw: | -2.0167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.339 |
| InChI Key: | OMERKMAXFIVYNH-UHFFFAOYSA-N |