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942999-61-3

942999-61-3 structural image
Product Name: BICYCLO[2.2.2]OCTANE-1-ACETIC ACID, 4-[4-(4-AMINO-7,7-DIMETHYL-7H-PYRIMIDO[4,5-B][1,4]OXAZIN-6-YL)PHENYL]-
Formula: C24H28N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 420.5 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 420.21614077 g/mol
Monoisotopic Mass 420.21614077 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 719
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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