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879459-23-1

879459-23-1 structural image
Product Name: 8,8-dimethyl-3-((4-nitrobenzyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Formula: C26H24N6O3S
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COMPUTED DESCRIPTORS

Molecular Weight 500.6 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 500.16305982 g/mol
Monoisotopic Mass 500.16305982 g/mol
Topological Polar Surface Area 146 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 829
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