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Home > Pyridines > 348580-83-6
348580-83-6 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2,3-dimethyl-phenyl)-acetamide
CAS No: 348580-83-6 Catalog No: AG01EVMV MDL No:
Product Description
Catalog Number:
AG01EVMV
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2,3-dimethyl-phenyl)-acetamide
CAS Number:
348580-83-6
Molecular Formula:
C29H25N3O2S
Molecular Weight:
479.5927
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
InChI:
InChI=1S/C29H25N3O2S/c1-19-8-7-11-26(20(19)2)31-28(33)18-35-29-25(17-30)24(21-12-14-23(34-3)15-13-21)16-27(32-29)22-9-5-4-6-10-22/h4-16H,18H2,1-3H3,(H,31,33)
InChI Key:
CUIJAUMVNUYBBP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1cccc(c1C)C)c1ccccc1
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.167g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.598g/mol
Monoisotopic Mass:
479.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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