[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
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![[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3502064b13d484aa7668e39b60c3dd7.png "[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate")
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
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CAS No:
956377-37-0
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Formula:
C21H20N4O5
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
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Synonyms:
ZINC5861301;Z56997604;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl (2S)-2-[(furan-2-yl)formamido]-3-methylbutanoate;956377-37-0
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Basic Attributes
408.4 g/mol
408.14336975 g/mol
Computed Properties
Molecular Weight:408.4
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:408.14336975
Monoisotopic Mass:408.14336975
Topological Polar Surface Area:141
Heavy Atom Count:30
Complexity:728
Defined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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