butyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
butyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
butyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 3643-0562 |
| Compound Name: | butyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C18 H19 N O5 S2 |
| Smiles: | CCCCOC(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8724 |
| logD: | 3.8724 |
| logSw: | -3.8699 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 54.261 |
| InChI Key: | HTKSYENDGICWJS-UHFFFAOYSA-N |