3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxy-5-nitrophenyl)propanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxy-5-nitrophenyl)propanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxy-5-nitrophenyl)propanamide
Compound characteristics
| Compound ID: | 3643-0597 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxy-5-nitrophenyl)propanamide |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C20 H15 N3 O7 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(Nc1cc(ccc1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1435 |
| logD: | 2.7535 |
| logSw: | -3.315 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.917 |
| InChI Key: | TYBOMLCZDASDTP-UHFFFAOYSA-N |