[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-chloro-1-benzothiophene-2-carboxylate
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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-chloro-1-benzothiophene-2-carboxylate
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CAS No:
380445-44-3
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Formula:
C20H12ClN3O3S
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-chloro-1-benzothiophene-2-carboxylate
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Synonyms:
ZINC6147392;Z18785482;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 3-chloro-1-benzothiophene-2-carboxylate;380445-44-3
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-chloro-1-benzothiophene-2-carboxylate Basic Attributes
409.8 g/mol
409.0287901 g/mol
Computed Properties
Molecular Weight:409.8
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:409.0287901
Monoisotopic Mass:409.0287901
Topological Polar Surface Area:127
Heavy Atom Count:28
Complexity:693
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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