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77579-88-5 | 1-Piperazinecarboxamide,4-ethyl-2,3-dioxo-
CAS No: 77579-88-5 Catalog No: AG005GPJ MDL No:
Product Description
Catalog Number:
AG005GPJ
Chemical Name:
1-Piperazinecarboxamide,4-ethyl-2,3-dioxo-
CAS Number:
77579-88-5
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
4-ethyl-2,3-dioxopiperazine-1-carboxamide
InChI:
InChI=1S/C7H11N3O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3,(H2,8,13)
InChI Key:
PNWJHMNWFRMQKF-UHFFFAOYSA-N
SMILES:
CCN1CCN(C(=O)C1=O)C(=O)N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Anti-tumor activity of new orally bioavailable 2-amino-5-(thiophen-2-yl)benzamide-series histone deacetylase inhibitors, possessing an aqueous soluble functional group as a surface recognition domain. | Bioorganic & medicinal chemistry letters 20120301 |
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