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879913-89-0

879913-89-0 structural image
Product Name: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
Formula: C23H28N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 396.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 396.20490738 g/mol
Monoisotopic Mass 396.20490738 g/mol
Topological Polar Surface Area 63 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 620
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