methyl {5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
Chemical Structure Depiction of
methyl {5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
methyl {5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
Compound characteristics
| Compound ID: | 3453-1593 |
| Compound Name: | methyl {5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate |
| Molecular Weight: | 418.28 |
| Molecular Formula: | C14 H12 Br N O5 S2 |
| Smiles: | COC(CN1C(/C(=C\c2cc(c(c(c2)[Br])O)OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2665 |
| logD: | 2.1888 |
| logSw: | -2.1948 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.402 |
| InChI Key: | MSFIDAOGTXQGGE-UHFFFAOYSA-N |