3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 1503-0937 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 383.46 |
| Molecular Formula: | C15 H13 N O5 S3 |
| Smiles: | C1CS(CC1N1C(/C(=C\c2ccc3c(c2)OCO3)SC1=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6019 |
| logD: | 1.6019 |
| logSw: | -2.3487 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 61.216 |
| InChI Key: | JOHPEERTXUBDMR-SNVBAGLBSA-N |