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827036-74-8 | Benzamide, 4-(dimethylamino)-N-[6-[(mercaptoacetyl)amino]hexyl]-
CAS No: 827036-74-8 Catalog No: AG005A4H MDL No:
Product Description
Catalog Number:
AG005A4H
Chemical Name:
Benzamide, 4-(dimethylamino)-N-[6-[(mercaptoacetyl)amino]hexyl]-
CAS Number:
827036-74-8
Molecular Formula:
C17H27N3O2S
Molecular Weight:
337.4802
IUPAC Name:
4-(dimethylamino)-N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide
InChI:
InChI=1S/C17H27N3O2S/c1-20(2)15-9-7-14(8-10-15)17(22)19-12-6-4-3-5-11-18-16(21)13-23/h7-10,23H,3-6,11-13H2,1-2H3,(H,18,21)(H,19,22)
InChI Key:
NGLUZLJLVYSKLA-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCCNC(=O)c1ccc(cc1)N(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.182g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
337.482g/mol
Monoisotopic Mass:
337.182g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Functional differences in epigenetic modulators-superiority of mercaptoacetamide-based histone deacetylase inhibitors relative to hydroxamates in cortical neuron neuroprotection studies. | Journal of medicinal chemistry 20070628 |
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