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866137-98-6

866137-98-6 structural image
Product Name: 2-(METHYLSULFANYL)-N-[3-(TRIFLUOROMETHYL)BENZYL]-4-QUINAZOLINAMINE
Formula: C17H14F3N3S
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COMPUTED DESCRIPTORS

Molecular Weight 349.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 349.08605312 g/mol
Monoisotopic Mass 349.08605312 g/mol
Topological Polar Surface Area 63.1 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 407
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