{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 3229-2110 |
| Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 323.34 |
| Molecular Formula: | C13 H9 N O5 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2ccc3c(c2)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1428 |
| logD: | -1.9762 |
| logSw: | -2.2673 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.213 |
| InChI Key: | LJHBZLNAIVJDIT-UHFFFAOYSA-N |