2-(dimethylamino)ethyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
2-(dimethylamino)ethyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
2-(dimethylamino)ethyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 3643-0564 |
| Compound Name: | 2-(dimethylamino)ethyl 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 444.95 |
| Molecular Formula: | C18 H20 N2 O5 S2 |
| Salt: | HCl |
| Smiles: | CN(C)CCOC(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.182 |
| logD: | 0.791 |
| logSw: | -2.8067 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 58.126 |
| InChI Key: | CQZNWAJMNDRCOM-UHFFFAOYSA-N |