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ZINC00312046,T5469333, 3-[2-(3-bromophenoxy)ethyl]quinazolin-4-one,Can

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摘 要:ZINC00312046,T5469333, 3-[2-(3-bromophenoxy)ethyl]quinazolin-4-one,Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=CC(=CC=C3)Br,InChI: InChI=1/C16H13BrN2O2/c17-12-4-3-5-13(10-12)21-9-8-19-11-18-15-7-2-1-6-14,(15)16(19)20/h1-7,10-11H,8-9H2,Molecular
[Synonyms]
ZINC00312046
T5469333

[Structure]
ZINC00312046,T5469333, 3-[2-(3-bromophenoxy)ethyl]quinazolin-4-one,Can

[ Properties Computed from Structure]
Molecular Weight345.19062 [g/mol]
Molecular FormulaC16H13BrN2O2
XLogP3.4
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass344.01604
MonoIsotopic Mass344.01604
Topological Polar Surface Area41.9
Heavy Atom Count21
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[2-(3-bromophenoxy)ethyl]quinazolin-4-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=CC(=CC=C3)Br
InChI: InChI=1/C16H13BrN2O2/c17-12-4-3-5-13(10-12)21-9-8-19-11-18-15-7-2-1-6-14
(15)16(19)20/h1-7,10-11H,8-9H2

 
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