3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-cyanoethyl)-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-cyanoethyl)-N-phenylpropanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-cyanoethyl)-N-phenylpropanamide
Compound characteristics
| Compound ID: | 3643-0689 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(2-cyanoethyl)-N-phenylpropanamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | C(CN(C(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 3.525 |
| logD: | 3.525 |
| logSw: | -3.7852 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.373 |
| InChI Key: | DUISMPRKNUXZCI-UHFFFAOYSA-N |