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477853-06-8

477853-06-8 structural image
Product Name: 3-[4-ALLYL-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-3-YL]-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDINONE
Formula: C18H16Cl2N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 407.3 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 406.0421877 g/mol
Monoisotopic Mass 406.0421877 g/mol
Topological Polar Surface Area 76.3 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 600
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