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29920-31-8

29920-31-8 structural image
Product Name: dimethyl 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azoterephthalate
Formula: C21H19N5O7
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COMPUTED DESCRIPTORS

Molecular Weight 453.4 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 453.12844796 g/mol
Monoisotopic Mass 453.12844796 g/mol
Topological Polar Surface Area 165 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 808
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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