3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-methoxyphenyl)propanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | 3643-0567 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-methoxyphenyl)propanamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C21 H18 N2 O5 S2 |
| Smiles: | COc1ccc(cc1)NC(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7306 |
| logD: | 3.7305 |
| logSw: | -4.1262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.229 |
| InChI Key: | VOKQEBSIXZZIFQ-UHFFFAOYSA-N |