{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid
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![{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1e5128fb8bf6413797cffbd6e4c8f2de.png "{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid")
{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid
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CAS No:
169305-68-4
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Formula:
C47H61N5O9
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Chemical Name:
{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid
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Synonyms:
Carbamic acid,(1-((4-chlorophenoxy)acetyl)-1H-benzimidazol-2-yl)-,methyl ester; {1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid; 4-Chlorobenacil; 4-Chlorobenacyl; {1-[(4-chloro-phenoxy)-acetyl]-1H-benzoimidazol-2-yl}-carbamic acid methyl ester; 4-Chloro-1-phenoxyacetyl-2-methoxycarbonylaminobenzimidazole; {1-[1-benzyl-2-hydroxy-3-[1-(2-hydroxy-4-methoxy-benzylcarbamoyl)-2,2-dimethyl-propylcarbamoyl]-3-(4-methoxy-benzylamino)-propylcarbamoyl]-2,2-dimethyl-propyl}-carbamic acid benzyl ester;Expand
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CAS No:
{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid Basic Attributes
840.01500
839.44692854 g/mol
DTXSID40168698
Computed Properties
Molecular Weight:840.0
XLogP3:7.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:22
Exact Mass:839.44692854
Monoisotopic Mass:839.44692854
Topological Polar Surface Area:197
Heavy Atom Count:61
Complexity:1350
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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