4-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Chemical Structure Depiction of
4-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
4-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Compound characteristics
| Compound ID: | 1503-1402 |
| Compound Name: | 4-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid |
| Molecular Weight: | 367.44 |
| Molecular Formula: | C16 H17 N O5 S2 |
| Smiles: | COc1ccc(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6112 |
| logD: | -1.2024 |
| logSw: | -2.0622 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.337 |
| InChI Key: | IJWKSBPTJQMUHJ-UHFFFAOYSA-N |