methyl 6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Chemical Structure Depiction of
methyl 6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
methyl 6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Compound characteristics
| Compound ID: | 3643-3101 |
| Compound Name: | methyl 6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate |
| Molecular Weight: | 474.39 |
| Molecular Formula: | C18 H20 Br N O5 S2 |
| Smiles: | COC(CCCCCN1C(/C(=C\c2cc(c(c(c2)[Br])O)OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6121 |
| logD: | 3.5344 |
| logSw: | -3.7151 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.381 |
| InChI Key: | FOEPYNIGMYSDSL-UHFFFAOYSA-N |