5-[(6-bromo-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-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(6-bromo-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: | 4489-8183 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 395.23 |
| Molecular Formula: | C15 H11 Br N2 O4 S |
| Smiles: | C=CCN1C(C(=C/c2cc3c(cc2[Br])OCO3)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.371 |
| logD: | 1.9694 |
| logSw: | -3.0379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.205 |
| InChI Key: | HNAUBMBVHGGRJT-UHFFFAOYSA-N |