1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8010-4627 |
| Compound Name: | 1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 319.23 |
| Molecular Formula: | C13 H9 N3 O7 |
| Smiles: | CN1C(C(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9191 |
| logD: | 0.6636 |
| logSw: | -2.3549 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.235 |
| InChI Key: | YHRNDRHNBHVDRT-UHFFFAOYSA-N |