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113849-29-9 | Benzenesulfonamide, 4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[[(4-methylphenyl)amino]carbonyl]-
CAS No: 113849-29-9 Catalog No: AG0009W3 MDL No:
Product Description
Catalog Number:
AG0009W3
Chemical Name:
Benzenesulfonamide, 4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[[(4-methylphenyl)amino]carbonyl]-
CAS Number:
113849-29-9
Molecular Formula:
C23H19BrN4O4S
Molecular Weight:
527.3904
IUPAC Name:
1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-(4-methylphenyl)urea
InChI:
InChI=1S/C23H19BrN4O4S/c1-14-3-6-17(7-4-14)26-23(30)27-33(31,32)19-10-8-18(9-11-19)28-15(2)25-21-12-5-16(24)13-20(21)22(28)29/h3-13H,1-2H3,(H2,26,27,30)
InChI Key:
BDWUMUKOCSELLA-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)Br)Nc1ccc(cc1)C
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.031g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
527.393g/mol
Monoisotopic Mass:
526.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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