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587009-98-1

587009-98-1 structural image
Product Name: N-(2,4-difluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula: C16H13F2N5OS
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COMPUTED DESCRIPTORS

Molecular Weight 361.4 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 361.08088755 g/mol
Monoisotopic Mass 361.08088755 g/mol
Topological Polar Surface Area 98 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 460
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