5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
Compound characteristics
Compound ID: | 4129-0959 |
Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one |
Molecular Weight: | 341.18 |
Molecular Formula: | C12 H9 Br N2 O3 S |
Smiles: | CN1C(/C(=C/c2cc3c(cc2[Br])OCO3)NC1=S)=O |
Stereo: | ACHIRAL |
logP: | 2.2902 |
logD: | 2.257 |
logSw: | -2.9556 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.661 |
InChI Key: | NGKQAKPIDAELBZ-UHFFFAOYSA-N |