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488824-84-6

488824-84-6 structural image
Product Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Formula: C29H31N5O3S
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COMPUTED DESCRIPTORS

Molecular Weight 529.7 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 10
Exact Mass 529.21476104 g/mol
Monoisotopic Mass 529.21476104 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 762
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes