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Home > Pyridines > 339156-60-4
339156-60-4 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-o-tolyl-acetamide
CAS No: 339156-60-4 Catalog No: AG01EVL5 MDL No:
Product Description
Catalog Number:
AG01EVL5
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-o-tolyl-acetamide
CAS Number:
339156-60-4
Molecular Formula:
C28H23N3O2S
Molecular Weight:
465.5661
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
InChI:
InChI=1S/C28H23N3O2S/c1-19-8-6-7-11-25(19)30-27(32)18-34-28-24(17-29)23(20-12-14-22(33-2)15-13-20)16-26(31-28)21-9-4-3-5-10-21/h3-16H,18H2,1-2H3,(H,30,32)
InChI Key:
FDHJLOIMNRTXSJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1ccccc1C)c1ccccc1
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.571g/mol
Monoisotopic Mass:
465.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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