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861651-77-6

861651-77-6 structural image
Product Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Formula: C28H24N4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 496.6 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 496.15691181 g/mol
Monoisotopic Mass 496.15691181 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 686
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