[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
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CAS No:
749878-57-7
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Formula:
C21H13Cl2N3O4S
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
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Synonyms:
ZINC2645008;Z15496128;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate;749878-57-7
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Basic Attributes
474.3 g/mol
473.0003825 g/mol
Computed Properties
Molecular Weight:474.3
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:473.0003825
Monoisotopic Mass:473.0003825
Topological Polar Surface Area:137
Heavy Atom Count:31
Complexity:775
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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