3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-cyclohexylpropanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | 3643-0621 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-cyclohexylpropanamide |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | C1CCC(CC1)NC(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7927 |
| logD: | 3.7927 |
| logSw: | -3.9577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.733 |
| InChI Key: | ZRZADLYHITXNCO-UHFFFAOYSA-N |