ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoyl)piperazine-1-carboxylate
ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 3643-0628 |
| Compound Name: | ethyl 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoyl)piperazine-1-carboxylate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C21 H23 N3 O6 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CCN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4322 |
| logD: | 2.4322 |
| logSw: | -2.8124 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 72.709 |
| InChI Key: | HWLYUGWQMRLSMZ-UHFFFAOYSA-N |