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113849-26-6 | Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methyl-N-[(phenylamino)carbonyl]-
CAS No: 113849-26-6 Catalog No: AG0009W5 MDL No:
Product Description
Catalog Number:
AG0009W5
Chemical Name:
Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methyl-N-[(phenylamino)carbonyl]-
CAS Number:
113849-26-6
Molecular Formula:
C23H18Br2N4O4S
Molecular Weight:
606.2864
IUPAC Name:
1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)-3-methylphenyl]sulfonyl-3-phenylurea
InChI:
InChI=1S/C23H18Br2N4O4S/c1-13-10-17(34(32,33)28-23(31)27-16-6-4-3-5-7-16)8-9-20(13)29-14(2)26-21-18(22(29)30)11-15(24)12-19(21)25/h3-12H,1-2H3,(H2,27,28,31)
InChI Key:
CEFCTSAVQNEPDB-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(n2)C)c1ccc(cc1C)S(=O)(=O)NC(=O)Nc1ccccc1
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
605.94g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
606.289g/mol
Monoisotopic Mass:
603.942g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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