3-(5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 3057-0994 |
| Compound Name: | 3-(5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C20 H17 N O4 S2 |
| Smiles: | C(CN1C(/C(=C/c2cccc(c2)OCc2ccccc2)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0487 |
| logD: | 0.5161 |
| logSw: | -3.3816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.304 |
| InChI Key: | XRUZQMALKZLVGA-UHFFFAOYSA-N |