3-{5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y070-1260 |
| Compound Name: | 3-{5-[(4-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 411.56 |
| Molecular Formula: | C18 H21 N O4 S3 |
| Smiles: | CCCCOc1ccc(/C=C2/C(N(C3CCS(C3)(=O)=O)C(=S)S2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1374 |
| logD: | 3.1374 |
| logSw: | -3.3308 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.519 |
| InChI Key: | NIVCCKGCLQZNTR-CQSZACIVSA-N |