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77918-04-8

77918-04-8 structural image
Product Name: 1-(4-(5-amino-6-chloro-2-pyridyl)aminobenzyl)-4-benzyl-2,3-dioxopiperazine
Formula: C23H22ClN5O2
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COMPUTED DESCRIPTORS

Molecular Weight 435.9 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 435.1462027 g/mol
Monoisotopic Mass 435.1462027 g/mol
Topological Polar Surface Area 91.6 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 621
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