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Home > Pyridines > 333341-80-3
333341-80-3 | 2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(2,6-dimethyl-phenyl)-acetamide
CAS No: 333341-80-3 Catalog No: AG01EVEL MDL No:
Product Description
Catalog Number:
AG01EVEL
Chemical Name:
2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(2,6-dimethyl-phenyl)-acetamide
CAS Number:
333341-80-3
Molecular Formula:
C29H25N3O2S
Molecular Weight:
479.5927
IUPAC Name:
2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
InChI:
InChI=1S/C29H25N3O2S/c1-19-8-7-9-20(2)28(19)32-27(33)18-35-29-25(17-30)24(21-10-5-4-6-11-21)16-26(31-29)22-12-14-23(34-3)15-13-22/h4-16H,18H2,1-3H3,(H,32,33)
InChI Key:
YZHGBFCTIZHRTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SCC(=O)Nc2c(C)cccc2C)c(c(c1)c1ccccc1)C#N
Properties
Complexity:
715
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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