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155104-14-6 | Benzoic acid, 4-[6-bromo-2-[[(2-carboxyethyl)thio]methyl]-4-oxo-3(4H)-quinazolinyl]-2-hydroxy-, 1-methyl ester
CAS No: 155104-14-6 Catalog No: AG001NM7 MDL No:
Product Description
Catalog Number:
AG001NM7
Chemical Name:
Benzoic acid, 4-[6-bromo-2-[[(2-carboxyethyl)thio]methyl]-4-oxo-3(4H)-quinazolinyl]-2-hydroxy-, 1-methyl ester
CAS Number:
155104-14-6
IUPAC Name:
3-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
InChI:
InChI=1S/C20H17BrN2O6S/c1-29-20(28)13-4-3-12(9-16(13)24)23-17(10-30-7-6-18(25)26)22-15-5-2-11(21)8-14(15)19(23)27/h2-5,8-9,24H,6-7,10H2,1H3,(H,25,26)
InChI Key:
MWKULZQHDOFDKW-UHFFFAOYSA-N
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.999g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.328g/mol
Monoisotopic Mass:
491.999g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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