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840458-57-3

840458-57-3 structural image
Product Name: 2-amino-1-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula: C25H28N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 444.5 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 444.22737416 g/mol
Monoisotopic Mass 444.22737416 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 687
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes