3-methyl-2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Chemical Structure Depiction of
3-methyl-2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
3-methyl-2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Compound characteristics
| Compound ID: | 3331-1827 |
| Compound Name: | 3-methyl-2-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid |
| Molecular Weight: | 335.44 |
| Molecular Formula: | C16 H17 N O3 S2 |
| Smiles: | CC(C)C(C(O)=O)N1C(/C(=C/c2ccc(C)cc2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3483 |
| logD: | 0.5282 |
| logSw: | -3.2522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.083 |
| InChI Key: | DSYUHLFGNFCTBN-ZDUSSCGKSA-N |