3-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2(3H)-one
Chemical Structure Depiction of
3-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2(3H)-one
3-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2(3H)-one
Compound characteristics
Compound ID: | 5639-0014 |
Compound Name: | 3-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2(3H)-one |
Molecular Weight: | 417.25 |
Molecular Formula: | C20 H17 Br O5 |
Smiles: | COc1ccc(cc1)C1=C/C(=C/c2cc(c(c(c2)[Br])OC)OC)C(=O)O1 |
Stereo: | ACHIRAL |
logP: | 4.6896 |
logD: | 4.6896 |
logSw: | -4.6421 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.631 |
InChI Key: | YXINLHUDWGPELR-UHFFFAOYSA-N |