3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 3643-0633 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C17 H14 N4 O4 S3 |
| Smiles: | Cc1nnc(NC(CCN2C(/C(=C/c3ccc4c(c3)OCO4)SC2=S)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5754 |
| logD: | 2.3989 |
| logSw: | -3.0863 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.037 |
| InChI Key: | JYUNCDYSLOKYQB-UHFFFAOYSA-N |