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113849-20-0 | Benzenesulfonamide, 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
CAS No: 113849-20-0 Catalog No: AG0009WA MDL No:
Product Description
Catalog Number:
AG0009WA
Chemical Name:
Benzenesulfonamide, 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
CAS Number:
113849-20-0
Molecular Formula:
C22H18N4O4S
Molecular Weight:
434.4677
IUPAC Name:
1-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
InChI:
InChI=1S/C22H18N4O4S/c1-15-23-20-10-6-5-9-19(20)21(27)26(15)17-11-13-18(14-12-17)31(29,30)25-22(28)24-16-7-3-2-4-8-16/h2-14H,1H3,(H2,24,25,28)
InChI Key:
OCNGEKPUVFEXGV-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)n1c(C)nc2c(c1=O)cccc2)Nc1ccccc1
Properties
Complexity:
808
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.105g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.47g/mol
Monoisotopic Mass:
434.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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