methyl 3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
methyl 3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
methyl 3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 3130-0980 |
| Compound Name: | methyl 3-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 432.31 |
| Molecular Formula: | C15 H14 Br N O5 S2 |
| Smiles: | COC(CCN1C(/C(=C\c2cc(c(c(c2)[Br])O)OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6076 |
| logD: | 2.5299 |
| logSw: | -2.5904 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.381 |
| InChI Key: | VYLUJLRAOHWPNS-UHFFFAOYSA-N |