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338398-02-0

338398-02-0 structural image
Product Name: 1-(4-CHLOROBENZYL)-4,6-DIMETHYL-3-[(3-METHYLPHENYL)SULFONYL]-2(1H)-PYRIDINONE
Formula: C21H20ClNO3S
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COMPUTED DESCRIPTORS

Molecular Weight 401.9 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 401.0852424 g/mol
Monoisotopic Mass 401.0852424 g/mol
Topological Polar Surface Area 62.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 742
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