3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-benzyl-N-ethylpropanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-benzyl-N-ethylpropanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-benzyl-N-ethylpropanamide
Compound characteristics
| Compound ID: | 3643-0682 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-benzyl-N-ethylpropanamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C23 H22 N2 O4 S2 |
| Smiles: | CCN(Cc1ccccc1)C(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8653 |
| logD: | 3.8653 |
| logSw: | -3.9206 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.216 |
| InChI Key: | BMITXCBBRXGRAO-UHFFFAOYSA-N |