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879442-74-7

879442-74-7 structural image
Product Name: 2-((benzo[d]oxazol-2-ylthio)methyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Formula: C31H23N7O3S
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COMPUTED DESCRIPTORS

Molecular Weight 573.6 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 573.15830879 g/mol
Monoisotopic Mass 573.15830879 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 931
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