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678543-92-5

678543-92-5 structural image
Product Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine
Formula: C17H17ClN4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 376.9 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 376.0760747 g/mol
Monoisotopic Mass 376.0760747 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 422
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