(1E)-N-(6,8-dimethyl-[1,3]dioxolo[4,5-g]quinazolin-7-ium-7-yl)-1-ethoxymethanimidate

Base Information

• Chemical Name: (1E)-N-(6,8-dimethyl-[1,3]dioxolo[4,5-g]quinazolin-7-ium-7-yl)-1-ethoxymethanimidate
• CAS No.: 57492-79-2
• Molecular Formula: C₁₄H₁₅N₃O₄
• Molecular Weight: 289.291
• DSSTox Substance ID: DTXSID00422182

Synonyms:NSC352329;57492-79-2;DTXSID00422182

Chemical Property of (1E)-N-(6,8-dimethyl-[1,3]dioxolo[4,5-g]quinazolin-7-ium-7-yl)-1-ethoxymethanimidate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 289.10625597
• Heavy Atom Count: 21
• Complexity: 406

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Useful:

• Canonical SMILES: CCOC(=N[N+]1=C(C2=CC3=C(C=C2N=C1C)OCO3)C)[O-]
• Isomeric SMILES: CCO/C(=N/[N+]1=C(C2=CC3=C(C=C2N=C1C)OCO3)C)/[O-]

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