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113849-24-4 | Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
CAS No: 113849-24-4 Catalog No: AG0009W7 MDL No:
Product Description
Catalog Number:
AG0009W7
Chemical Name:
Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
CAS Number:
113849-24-4
Molecular Formula:
C22H16Br2N4O4S
Molecular Weight:
592.2598
IUPAC Name:
1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
InChI:
InChI=1S/C22H16Br2N4O4S/c1-13-25-20-18(11-14(23)12-19(20)24)21(29)28(13)16-7-9-17(10-8-16)33(31,32)27-22(30)26-15-5-3-2-4-6-15/h2-12H,1H3,(H2,26,27,30)
InChI Key:
VJYMLIGOUYFXEP-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(n2)C)c1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccccc1
Properties
Complexity:
879
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.924g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
592.262g/mol
Monoisotopic Mass:
589.926g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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