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22458-49-7

22458-49-7 structural image
Product Name: 3-(2,4-DIMETHYL-PHENYL)-2-MERCAPTO-3H-QUINAZOLIN-4-ONE
Formula: C16H14N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 282.4 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 282.08268425 g/mol
Monoisotopic Mass 282.08268425 g/mol
Topological Polar Surface Area 64.4 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 411
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