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Home > Encyclopedia > [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate structure

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate 

structure
  • CAS No:

    730986-86-4

  • Formula:

    C21H15N5O4

  • Chemical Name:

    [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate

  • Synonyms:

    ZINC3283827;Z18636913;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(2-cyanoacetamido)benzoate;730986-86-4

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate Basic Attributes

401.4 g/mol

401.11240398 g/mol

Characteristics

152 Ų

Computed Properties

Molecular Weight:401.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:401.11240398
Monoisotopic Mass:401.11240398
Topological Polar Surface Area:152
Heavy Atom Count:30
Complexity:784
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate

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