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1245739-75-6 | Acetamide, N-[8-oxo-3-(5-pyrimidinyl)-8H-indeno[1,2-c]thien-1-yl]-
CAS No: 1245739-75-6 Catalog No: AG000MDL MDL No:
Product Description
Catalog Number:
AG000MDL
Chemical Name:
Acetamide, N-[8-oxo-3-(5-pyrimidinyl)-8H-indeno[1,2-c]thien-1-yl]-
CAS Number:
1245739-75-6
Molecular Formula:
C17H11N3O2S
Molecular Weight:
321.3531
IUPAC Name:
3-amino-1-pyrimidin-5-ylindeno[1,2-c]thiophen-4-one
InChI:
InChI=1S/C15H9N3OS/c16-15-12-11(9-3-1-2-4-10(9)13(12)19)14(20-15)8-5-17-7-18-6-8/h1-7H,16H2
InChI Key:
GFFVGEFXFFISJN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc(c2c1C(=O)c1c2cccc1)c1cncnc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.317g/mol
Monoisotopic Mass:
279.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Effects of conformational restriction of 2-amino-3-benzoylthiophenes on A(1) adenosine receptor modulation. | Journal of medicinal chemistry 20100923 |
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