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1246213-41-1 | 3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-
CAS No: 1246213-41-1 Catalog No: AG00AA6C MDL No:
Product Description
Catalog Number:
AG00AA6C
Chemical Name:
3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-
CAS Number:
1246213-41-1
IUPAC Name:
N-(5-tert-butyl-3,3-dimethyl-2-oxo-1-benzofuran-6-yl)-4-oxo-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C24H24N2O4/c1-23(2,3)15-10-16-19(30-22(29)24(16,4)5)11-18(15)26-21(28)14-12-25-17-9-7-6-8-13(17)20(14)27/h6-12H,1-5H3,(H,25,27)(H,26,28)
InChI Key:
WVXNTZZDMNDZHM-UHFFFAOYSA-N
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.466g/mol
Monoisotopic Mass:
404.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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