5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 0927-0131 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 248.26 |
| Molecular Formula: | C11 H8 N2 O3 S |
| Smiles: | C1Oc2ccc(\C=C3/C(NC(N3)=S)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.6228 |
| logD: | 1.602 |
| logSw: | -2.4048 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.409 |
| InChI Key: | PKAJHHBFVYAMMP-UHFFFAOYSA-N |