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849002-09-1

849002-09-1 structural image
Product Name: N-(4-acetamidophenyl)-2-[[5-(2-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula: C25H22ClN5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 492.0 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 491.1182738 g/mol
Monoisotopic Mass 491.1182738 g/mol
Topological Polar Surface Area 114 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 684
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