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 |