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309745-18-4

309745-18-4 structural image
Product Name: 2-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Formula: C21H12F3N5OS3
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COMPUTED DESCRIPTORS

Molecular Weight 503.5 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 6
Exact Mass 503.01560803 g/mol
Monoisotopic Mass 503.01560803 g/mol
Topological Polar Surface Area 173 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 730
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