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828920-15-6 | Hexanamide, 6-[(mercaptoacetyl)amino]-N-6-quinolinyl-
CAS No: 828920-15-6 Catalog No: AG0054XP MDL No:
Product Description
Catalog Number:
AG0054XP
Chemical Name:
Hexanamide, 6-[(mercaptoacetyl)amino]-N-6-quinolinyl-
CAS Number:
828920-15-6
Molecular Formula:
C17H21N3O2S
Molecular Weight:
331.4325
IUPAC Name:
N-quinolin-6-yl-6-[(2-sulfanylacetyl)amino]hexanamide
InChI:
InChI=1S/C17H21N3O2S/c21-16(6-2-1-3-9-19-17(22)12-23)20-14-7-8-15-13(11-14)5-4-10-18-15/h4-5,7-8,10-11,23H,1-3,6,9,12H2,(H,19,22)(H,20,21)
InChI Key:
JNAYGIHXLJPISJ-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCC(=O)Nc1ccc2c(c1)cccn2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.434g/mol
Monoisotopic Mass:
331.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Inside HDAC with HDAC inhibitors. | European journal of medicinal chemistry 20100601 |
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