{5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 4482-4122 |
| Compound Name: | {5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C14 H11 N O5 S2 |
| Smiles: | Cc1cc2c(cc1\C=C1/C(N(CC(O)=O)C(=S)S1)=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.3899 |
| logD: | -1.7291 |
| logSw: | -1.8584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.213 |
| InChI Key: | OFGUTCFDVZSLKT-UHFFFAOYSA-N |