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478032-97-2

478032-97-2 structural image
Product Name: N-(1-BENZYL-3-CYANO-4,5-DIMETHYL-1H-PYRROL-2-YL)-3-METHYLBENZENECARBOXAMIDE
Formula: C22H21N3O
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COMPUTED DESCRIPTORS

Molecular Weight 343.4 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 343.168462302 g/mol
Monoisotopic Mass 343.168462302 g/mol
Topological Polar Surface Area 57.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 533
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