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102107-36-8 | Dodecanamide, N-[[5-(acetylamino)-8-quinolinyl]sulfonyl]-
CAS No: 102107-36-8 Catalog No: AG0006N1 MDL No:
Product Description
Catalog Number:
AG0006N1
Chemical Name:
Dodecanamide, N-[[5-(acetylamino)-8-quinolinyl]sulfonyl]-
CAS Number:
102107-36-8
Molecular Formula:
C23H33N3O4S
Molecular Weight:
447.5908
IUPAC Name:
N-(5-acetamidoquinolin-8-yl)sulfonyldodecanamide
InChI:
InChI=1S/C23H33N3O4S/c1-3-4-5-6-7-8-9-10-11-14-22(28)26-31(29,30)21-16-15-20(25-18(2)27)19-13-12-17-24-23(19)21/h12-13,15-17H,3-11,14H2,1-2H3,(H,25,27)(H,26,28)
InChI Key:
UNTGZLCUHXWRKP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(c2c1nccc2)NC(=O)C
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.219g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.594g/mol
Monoisotopic Mass:
447.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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