N-(2H-1,3-benzodioxol-5-yl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide
Compound characteristics
| Compound ID: | 3643-0610 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamide |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C21 H16 N2 O6 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5813 |
| logD: | 3.5811 |
| logSw: | -3.8298 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.801 |
| InChI Key: | RCFDVWOIBCWXLA-UHFFFAOYSA-N |