3-(4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
Chemical Structure Depiction of
3-(4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
3-(4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
Compound characteristics
| Compound ID: | 2110-0208 |
| Compound Name: | 3-(4-{5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C22 H20 N2 O5 S2 |
| Smiles: | COc1ccc(/C=C2/C(N(CCCC(Nc3cccc(c3)C(O)=O)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7045 |
| logD: | 0.8187 |
| logSw: | -4.0437 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.522 |
| InChI Key: | SFCSSSHJSDHNLU-UHFFFAOYSA-N |