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1024492-48-5

1024492-48-5 structural image
Product Name: ((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)(4-(5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)METHANE-1-THIONE
Formula: C18H16F6N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 450.4 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 3
Exact Mass 450.09490129 g/mol
Monoisotopic Mass 450.09490129 g/mol
Topological Polar Surface Area 72.7 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 574
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