5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8005-5321 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 276.27 |
| Molecular Formula: | C12 H8 N2 O4 S |
| Smiles: | C1Oc2ccc(C=C3C(NC(NC3=O)=S)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.8753 |
| logD: | 1.4498 |
| logSw: | -2.6149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.741 |
| InChI Key: | QDSDZOMKACYBSB-UHFFFAOYSA-N |