3-{5-[(2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 4578-0385 |
| Compound Name: | 3-{5-[(2H-1-benzopyran-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C16 H13 N O4 S2 |
| Smiles: | C(CN1C(/C(=C/C2COc3ccccc3C=2)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2439 |
| logD: | -0.2887 |
| logSw: | -2.4473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.446 |
| InChI Key: | VGHWFSANLSMZOL-UHFFFAOYSA-N |