3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxyethyl)-N-phenylpropanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxyethyl)-N-phenylpropanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxyethyl)-N-phenylpropanamide
Compound characteristics
| Compound ID: | 3643-0688 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-hydroxyethyl)-N-phenylpropanamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C22 H20 N2 O5 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(N(CCO)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1398 |
| logD: | 3.1398 |
| logSw: | -3.2983 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.537 |
| InChI Key: | MJGXNLXLSMFZGM-UHFFFAOYSA-N |