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852169-56-3

852169-56-3 structural image
Product Name: Acetamide, N-(4-butylphenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro-6,8-dimethyl-5,7-dioxopyrimido[4,5-d]pyrimidin-4-yl)thio]-
Formula: C22H27N5O3S
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COMPUTED DESCRIPTORS

Molecular Weight 441.5 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 441.18346091 g/mol
Monoisotopic Mass 441.18346091 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 655
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