N-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-methylbenzamide
Chemical Structure Depiction of
N-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-methylbenzamide
N-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-methylbenzamide
Compound characteristics
| Compound ID: | 2279-4975 |
| Compound Name: | N-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-methylbenzamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C19 H14 N2 O4 S2 |
| Smiles: | Cc1ccccc1C(NN1C(/C(=C\c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1456 |
| logD: | 3.0642 |
| logSw: | -3.4873 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.959 |
| InChI Key: | BPPTTWSXKBRQGZ-UHFFFAOYSA-N |