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113849-21-1 | Benzenesulfonamide, 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[[(4-methylphenyl)amino]carbonyl]-
CAS No: 113849-21-1 Catalog No: AG0009W9 MDL No:
Product Description
Catalog Number:
AG0009W9
Chemical Name:
Benzenesulfonamide, 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[[(4-methylphenyl)amino]carbonyl]-
CAS Number:
113849-21-1
Molecular Formula:
C23H20N4O4S
Molecular Weight:
448.4943
IUPAC Name:
1-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-(4-methylphenyl)urea
InChI:
InChI=1S/C23H20N4O4S/c1-15-7-9-17(10-8-15)25-23(29)26-32(30,31)19-13-11-18(12-14-19)27-16(2)24-21-6-4-3-5-20(21)22(27)28/h3-14H,1-2H3,(H2,25,26,29)
InChI Key:
XWHXNHUKNUXSKN-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)n1c(C)nc2c(c1=O)cccc2)Nc1ccc(cc1)C
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.121g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.497g/mol
Monoisotopic Mass:
448.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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