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924820-98-4

924820-98-4 structural image
Product Name: 3-[1-methyl-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Formula: C21H19N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 377.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 377.13755610 g/mol
Monoisotopic Mass 377.13755610 g/mol
Topological Polar Surface Area 90 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 710
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