5-[(3-bromo-4-methoxyphenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(3-bromo-4-methoxyphenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
5-[(3-bromo-4-methoxyphenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Compound characteristics
Compound ID: | 3553-1941 |
Compound Name: | 5-[(3-bromo-4-methoxyphenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione |
Molecular Weight: | 383.24 |
Molecular Formula: | C17 H19 Br O5 |
Smiles: | CC(C)(C)C1(C)OC(C(=Cc2ccc(c(c2)[Br])OC)C(=O)O1)=O |
Stereo: | ACHIRAL |
logP: | 3.906 |
logD: | 3.906 |
logSw: | -4.1774 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.979 |
InChI Key: | PQEWTDCFAPGLEK-UHFFFAOYSA-N |