3-{5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 4670-0319 |
| Compound Name: | 3-{5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 402.28 |
| Molecular Formula: | C14 H12 Br N O4 S2 |
| Smiles: | COc1ccc(cc1\C=C1/C(N(CCC(O)=O)C(=S)S1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6317 |
| logD: | 0.0991 |
| logSw: | -2.8058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.707 |
| InChI Key: | XTMVRPACBQNIRI-UHFFFAOYSA-N |