5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4489-8182 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C15 H12 N2 O4 S |
| Smiles: | C=CCN1C(C(=C/c2ccc3c(c2)OCO3)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0067 |
| logD: | 1.9367 |
| logSw: | -2.803 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.205 |
| InChI Key: | KEZURXVXFRGDRK-UHFFFAOYSA-N |