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854002-57-6

854002-57-6 structural image
Product Name: (5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-one
Formula: C20H14F3N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 401.4 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 401.08096774 g/mol
Monoisotopic Mass 401.08096774 g/mol
Topological Polar Surface Area 71.7 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 678
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes