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951987-46-5

951987-46-5 structural image
Product Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-2H-pyrrol-3-one
Formula: C21H21N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 407.4 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 407.15935417 g/mol
Monoisotopic Mass 407.15935417 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 699
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