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442673-25-8

442673-25-8 structural image
Product Name: 6-butyl-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Formula: C21H25N5O2
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COMPUTED DESCRIPTORS

Molecular Weight 379.5 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 379.20082506 g/mol
Monoisotopic Mass 379.20082506 g/mol
Topological Polar Surface Area 62.8 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 608
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