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955895-85-9

955895-85-9 structural image
Product Name: N-(5-bromoquinolin-8-yl)-4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamide
Formula: C20H14BrClN4O
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COMPUTED DESCRIPTORS

Molecular Weight 441.7 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 440.00395 g/mol
Monoisotopic Mass 440.00395 g/mol
Topological Polar Surface Area 59.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 516
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