AC1NST4A
5-(1,3-benzodioxol-5-yliminomethyl)-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: CBMicro_019989|CCG-7981|BIM-0020016.P001|(5Z)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione|(5Z)-5-[(2H-1,3-benzodioxol-5-ylamino)methylidene]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione|5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H17N3O7 |
|---|---|
| Molecular Weight | 411.10666 g/mol |
| LogP | 1.7279 |
| Topological Polar Surface Area | 124.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.10666 |
| Monoisotopic Mass | 411.10666 |
| Heavy Atoms | 30 |
| Complexity | 1260.2306 |
Chemical Identifiers
| CAS Number | 5394-85-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=O)C=NC3=CC4=C(C=C3)OCO4)O |
Product Overview
AC1NST4A (CAS 5394-85-4), with molecular formula C20H17N3O7 and molecular weight 411.10666 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yliminomethyl)-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.
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