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828920-05-4 | Benzamide, 4-(dimethylamino)-N-[4-[(mercaptoacetyl)amino]butyl]-
CAS No: 828920-05-4 Catalog No: AG004S8K MDL No:
Product Description
Catalog Number:
AG004S8K
Chemical Name:
Benzamide, 4-(dimethylamino)-N-[4-[(mercaptoacetyl)amino]butyl]-
CAS Number:
828920-05-4
Molecular Formula:
C15H23N3O2S
Molecular Weight:
309.4270
IUPAC Name:
4-(dimethylamino)-N-[4-[(2-sulfanylacetyl)amino]butyl]benzamide
InChI:
InChI=1S/C15H23N3O2S/c1-18(2)13-7-5-12(6-8-13)15(20)17-10-4-3-9-16-14(19)11-21/h5-8,21H,3-4,9-11H2,1-2H3,(H,16,19)(H,17,20)
InChI Key:
BTMXKFKUNIPMAH-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCNC(=O)c1ccc(cc1)N(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.151g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.428g/mol
Monoisotopic Mass:
309.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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