1-(4-methylphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-methylphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
1-(4-methylphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8010-4629 |
| Compound Name: | 1-(4-methylphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 395.33 |
| Molecular Formula: | C19 H13 N3 O7 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3847 |
| logD: | 1.9872 |
| logSw: | -3.0166 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.587 |
| InChI Key: | MWVHCMXFZDETRI-UHFFFAOYSA-N |