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Home > Pyridines > 1245739-76-7
1245739-76-7 | Acetamide, N-[8-oxo-3-(4-pyridinyl)-8H-indeno[1,2-c]thien-1-yl]-
CAS No: 1245739-76-7 Catalog No: AG000MDK MDL No:
Product Description
Catalog Number:
AG000MDK
Chemical Name:
Acetamide, N-[8-oxo-3-(4-pyridinyl)-8H-indeno[1,2-c]thien-1-yl]-
CAS Number:
1245739-76-7
Molecular Formula:
C18H12N2O2S
Molecular Weight:
320.3651
IUPAC Name:
3-amino-1-pyridin-4-ylindeno[1,2-c]thiophen-4-one
InChI:
InChI=1S/C16H10N2OS/c17-16-13-12(10-3-1-2-4-11(10)14(13)19)15(20-16)9-5-7-18-8-6-9/h1-8H,17H2
InChI Key:
YXZKKRKYCBZEPX-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc(c2c1C(=O)c1c2cccc1)c1ccncc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.329g/mol
Monoisotopic Mass:
278.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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