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Home > Pyridines > 337498-29-0
337498-29-0 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CAS No: 337498-29-0 Catalog No: AG01EVJL MDL No:
Product Description
Catalog Number:
AG01EVJL
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CAS Number:
337498-29-0
Molecular Formula:
C29H25N3O3S
Molecular Weight:
495.5921
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
InChI:
InChI=1S/C29H25N3O3S/c1-19-8-10-21(11-9-19)26-16-23(20-12-14-22(34-2)15-13-20)24(17-30)29(32-26)36-18-28(33)31-25-6-4-5-7-27(25)35-3/h4-16H,18H2,1-3H3,(H,31,33)
InChI Key:
FXXDOXVYFZODBP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1ccccc1OC)c1ccc(cc1)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.162g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
495.597g/mol
Monoisotopic Mass:
495.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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