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115623-21-7

115623-21-7 structural image
Product Name: [3S-[2(R*),3α,8aβ]]-Hexahydro-3-Methyl-1,4-dioxo-α-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetic Acid
Formula: C18H22N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 330.4 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 330.15795719 g/mol
Monoisotopic Mass 330.15795719 g/mol
Topological Polar Surface Area 77.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 515
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes