2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Chemical Structure Depiction of
2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)benzoic acid
2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Compound characteristics
| Compound ID: | 3678-0256 |
| Compound Name: | 2-(3-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}propanamido)benzoic acid |
| Molecular Weight: | 502.56 |
| Molecular Formula: | C23 H22 N2 O7 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CCC(Nc3ccccc3C(O)=O)=O)C(=S)S2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5871 |
| logD: | -0.8258 |
| logSw: | -3.9281 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.258 |
| InChI Key: | TXTKKXROTXGBKC-UHFFFAOYSA-N |