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185610-53-1

185610-53-1 structural image
Product Name: Diphenylcarbamic acid 2-[(2-methyl-1-oxopropyl)amino]-1H-purin-6-yl ester
Formula: C22H20N6O3
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COMPUTED DESCRIPTORS

Molecular Weight 416.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 416.15968852 g/mol
Monoisotopic Mass 416.15968852 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 602
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