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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate structure

CAS No:
730986-65-9
Formula:
C21H14BrN3O4
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
Synonyms:
MLS002634232;CHEMBL1894479;HMS3091B12;ZINC13865317;SMR001544485;Z15468944;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate;730986-65-9

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Basic Attributes

Molecular Weight：

452.3 g/mol

Exact Mass：

451.01677 g/mol

Characteristics

PSA：

112 Å²

Computed Properties

Molecular Weight:452.3
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:451.01677
Monoisotopic Mass:451.01677
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:720
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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