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78720-96-4

78720-96-4 structural image
Product Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl- 8-(ethyl(phenylmethyl)amino)-
Formula: C19H25N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 387.4 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 387.19065430 g/mol
Monoisotopic Mass 387.19065430 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 571
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