[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate
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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate
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CAS No:
730986-86-4
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Formula:
C21H15N5O4
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(2-cyanoacetyl)amino]benzoate
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Synonyms:
ZINC3283827;Z18636913;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(2-cyanoacetamido)benzoate;730986-86-4
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CAS No:
[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
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
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