3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid
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![3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c5ce997ceae24b56ac59c1baa209c94e.png "3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid")
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid
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CAS No:
155104-14-6
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Formula:
C20H17BrN2O6S
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Chemical Name:
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid
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Synonyms:
CTK4C8525;DTXSID30935134;Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester;LS-36204;3-[({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid;Benzoic acid,4-[6-bromo-2-[[(2-carboxyethyl)thio]methyl]-4-oxo-3(4H)-quinazolinyl]-2-hydroxy-,1-methyl ester
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CAS No:
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid Basic Attributes
493.328
491.999
Computed Properties
Molecular Weight:493.3
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:491.99907
Monoisotopic Mass:491.99907
Topological Polar Surface Area:142
Heavy Atom Count:30
Complexity:705
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid
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