5-[(3,5-dinitroanilino)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(3,5-dinitroanilino)methylidene]-1,3-diazinane-2,4,6-trione
5-[(3,5-dinitroanilino)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8004-8538 |
| Compound Name: | 5-[(3,5-dinitroanilino)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 321.2 |
| Molecular Formula: | C11 H7 N5 O7 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)Nc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5061 |
| logD: | -2.8466 |
| logSw: | -2.1984 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.007 |
| InChI Key: | NQBBFXZNKKSEEL-UHFFFAOYSA-N |