3-(2-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)benzoic acid
3-(2-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 3324-0703 |
| Compound Name: | 3-(2-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamido)benzoic acid |
| Molecular Weight: | 477.35 |
| Molecular Formula: | C19 H13 Br N2 O4 S2 |
| Smiles: | C(C(Nc1cccc(c1)C(O)=O)=O)N1C(/C(=C/c2cccc(c2)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7211 |
| logD: | 1.8353 |
| logSw: | -4.4305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68 |
| InChI Key: | JTJWJGKEHYEFOA-UHFFFAOYSA-N |