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477852-98-5

477852-98-5 structural image
Product Name: 5-(4-ALLYL-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-2(1H)-PYRIDINONE
Formula: C18H15F3N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 392.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 392.09186677 g/mol
Monoisotopic Mass 392.09186677 g/mol
Topological Polar Surface Area 80 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 729
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