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929828-29-5

929828-29-5 structural image
Product Name: 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)triazole-4-carboxamide
Formula: C17H16BrN5O3
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COMPUTED DESCRIPTORS

Molecular Weight 418.2 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 417.04365 g/mol
Monoisotopic Mass 417.04365 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 477
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