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608497-72-9

608497-72-9 structural image
Product Name: (5Z)-3-dodecyl-5-[[7-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula: C29H42N4O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 542.8 g/mol
XLogP3 8.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 15
Exact Mass 542.27491894 g/mol
Monoisotopic Mass 542.27491894 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes