3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 3057-0989 |
| Compound Name: | 3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 418.28 |
| Molecular Formula: | C14 H12 Br N O5 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CCC(O)=O)C(=S)S2)=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6202 |
| logD: | -0.9124 |
| logSw: | -1.8719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.186 |
| InChI Key: | CVJBTEGPSKKVNI-UHFFFAOYSA-N |