5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8010-4630 |
| Compound Name: | 5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 397.36 |
| Molecular Formula: | C18 H11 N3 O6 S |
| Smiles: | C1Oc2cc(/C=C3/C(NC(N(C3=O)c3ccccc3)=S)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2674 |
| logD: | 1.7853 |
| logSw: | -3.0208 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.424 |
| InChI Key: | SBWULAPSFQRDMP-UHFFFAOYSA-N |