2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
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![2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3b9224b2fcad4a4b947461107e777646.png "2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid")
2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
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CAS No:
155104-15-7
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Formula:
C21H19BrN2O5S
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Chemical Name:
2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
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Synonyms:
Benzoic acid,4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-,1-ethyl ester;
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CAS No:
2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid Basic Attributes
491.35500
490.01981
Computed Properties
Molecular Weight:491.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:490.01981
Monoisotopic Mass:490.01981
Topological Polar Surface Area:122
Heavy Atom Count:30
Complexity:695
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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