3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-chloro-2-hydroxyphenyl)propanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-chloro-2-hydroxyphenyl)propanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-chloro-2-hydroxyphenyl)propanamide
Compound characteristics
| Compound ID: | 3643-0590 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(5-chloro-2-hydroxyphenyl)propanamide |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C20 H15 Cl N2 O5 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(Nc1cc(ccc1O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8048 |
| logD: | 3.8004 |
| logSw: | -4.3464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.536 |
| InChI Key: | FJWPPIKNVGPDIC-UHFFFAOYSA-N |