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95004-85-6

95004-85-6 | N-(5-ACETAMIDO(QUINOLIN-8-YL))SULFONYLDECANAMIDE

CAS No: 95004-85-6 Catalog No: AG006QF0 MDL No:

Product Description

Catalog Number:
AG006QF0
Chemical Name:
N-(5-ACETAMIDO(QUINOLIN-8-YL))SULFONYLDECANAMIDE
CAS Number:
95004-85-6
Molecular Formula:
C21H29N3O4S
Molecular Weight:
419.5377
IUPAC Name:
N-(5-acetamidoquinolin-8-yl)sulfonyldecanamide
InChI:
InChI=1S/C21H29N3O4S/c1-3-4-5-6-7-8-9-12-20(26)24-29(27,28)19-14-13-18(23-16(2)25)17-11-10-15-22-21(17)19/h10-11,13-15H,3-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChI Key:
SZNQLPFJVAOBRC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)NS(=O)(=O)c1ccc(c2c1nccc2)NC(=O)C

Properties

Complexity:
632  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.188g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
419.54g/mol
Monoisotopic Mass:
419.188g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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