4-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide
Chemical Structure Depiction of
4-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide
4-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide
Compound characteristics
| Compound ID: | 5121-2157 |
| Compound Name: | 4-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C19 H17 N3 O5 S2 |
| Smiles: | Cc1cc(NC(CCCN2C(/C(=C/c3ccc4c(c3)OCO4)SC2=S)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.8693 |
| logD: | 2.8346 |
| logSw: | -3.3505 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.481 |
| InChI Key: | IKTGJIYIAQIXOH-UHFFFAOYSA-N |