3-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 2798-2137 |
| Compound Name: | 3-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 321.41 |
| Molecular Formula: | C15 H15 N O3 S2 |
| Smiles: | CCc1ccc(\C=C2/C(N(CCC(O)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5903 |
| logD: | 0.0577 |
| logSw: | -2.6341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.076 |
| InChI Key: | KHTIVCAWHJDRIE-UHFFFAOYSA-N |