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Home > Pyridines > 102645-53-4
102645-53-4 | 2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-
CAS No: 102645-53-4 Catalog No: AG00080J MDL No:
Product Description
Catalog Number:
AG00080J
Chemical Name:
2-Pyridinecarbonitrile, 6-(4-benzoylphenoxy)-3-(ethylthio)-
CAS Number:
102645-53-4
Molecular Formula:
C21H16N2O2S
Molecular Weight:
360.4289
IUPAC Name:
6-(4-benzoylphenoxy)-3-ethylsulfanylpyridine-2-carbonitrile
InChI:
InChI=1S/C21H16N2O2S/c1-2-26-19-12-13-20(23-18(19)14-22)25-17-10-8-16(9-11-17)21(24)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChI Key:
NCNHWRXBUOOOQS-UHFFFAOYSA-N
SMILES:
CCSc1ccc(nc1C#N)Oc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.431g/mol
Monoisotopic Mass:
360.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| In vitro and in vivo anti-picornavirus activity of some p-benzoylphenoxypyridines. | Antiviral research 19861001 |
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