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556787-47-4

556787-47-4 structural image
Product Name: N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-OXO(3-HYDROQUINAZOLIN-2-YLTHIO))ETHANAMIDE
Formula: C18H11F6N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 447.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 447.04761675 g/mol
Monoisotopic Mass 447.04761675 g/mol
Topological Polar Surface Area 95.9 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 674
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