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242471-94-9

242471-94-9 structural image
Product Name: 3-(4-ALLYL-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL)-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDINONE
Formula: C17H14Cl2N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 393.3 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 392.0265376 g/mol
Monoisotopic Mass 392.0265376 g/mol
Topological Polar Surface Area 80 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 676
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