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828920-04-3 | Benzamide, 4-(dimethylamino)-N-[3-[(mercaptoacetyl)amino]propyl]-
CAS No: 828920-04-3 Catalog No: AG004VVN MDL No:
Product Description
Catalog Number:
AG004VVN
Chemical Name:
Benzamide, 4-(dimethylamino)-N-[3-[(mercaptoacetyl)amino]propyl]-
CAS Number:
828920-04-3
Molecular Formula:
C14H21N3O2S
Molecular Weight:
295.4004
IUPAC Name:
4-(dimethylamino)-N-[3-[(2-sulfanylacetyl)amino]propyl]benzamide
InChI:
InChI=1S/C14H21N3O2S/c1-17(2)12-6-4-11(5-7-12)14(19)16-9-3-8-15-13(18)10-20/h4-7,20H,3,8-10H2,1-2H3,(H,15,18)(H,16,19)
InChI Key:
DZDWFEQPDJSYRZ-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCNC(=O)c1ccc(cc1)N(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.401g/mol
Monoisotopic Mass:
295.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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