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332904-95-7

332904-95-7 structural image
Product Name: 8-[benzyl(methyl)amino]-7-sec-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Formula: C18H23N5O2
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COMPUTED DESCRIPTORS

Molecular Weight 341.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 341.18517499 g/mol
Monoisotopic Mass 341.18517499 g/mol
Topological Polar Surface Area 70.5 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 508
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes