3-(3-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Chemical Structure Depiction of
3-(3-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
3-(3-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Compound characteristics
| Compound ID: | 4491-2099 |
| Compound Name: | 3-(3-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C22 H20 N2 O6 S2 |
| Smiles: | COc1ccc(/C=C2/C(N(CCC(Nc3cccc(c3)C(O)=O)=O)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5739 |
| logD: | 0.6881 |
| logSw: | -3.831 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.239 |
| InChI Key: | XWVJVIMJPDGWKC-UHFFFAOYSA-N |