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113849-28-8 | Benzenesulfonamide, 4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
CAS No: 113849-28-8 Catalog No: AG0009W4 MDL No:
Product Description
Catalog Number:
AG0009W4
Chemical Name:
Benzenesulfonamide, 4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
CAS Number:
113849-28-8
Molecular Formula:
C22H17BrN4O4S
Molecular Weight:
513.3638
IUPAC Name:
1-[4-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
InChI:
InChI=1S/C22H17BrN4O4S/c1-14-24-20-12-7-15(23)13-19(20)21(28)27(14)17-8-10-18(11-9-17)32(30,31)26-22(29)25-16-5-3-2-4-6-16/h2-13H,1H3,(H2,25,26,29)
InChI Key:
LWEBURKBTIIELT-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)Br)Nc1ccccc1
Properties
Complexity:
845
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.015g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
513.366g/mol
Monoisotopic Mass:
512.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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