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Home > Pyridines > 332376-13-3
332376-13-3 | 2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CAS No: 332376-13-3 Catalog No: AG01EV8Z MDL No:
Product Description
Catalog Number:
AG01EV8Z
Chemical Name:
2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CAS Number:
332376-13-3
Molecular Formula:
C29H25N3O3S
Molecular Weight:
495.5921
IUPAC Name:
2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
InChI:
InChI=1S/C29H25N3O3S/c1-3-35-22-15-13-21(14-16-22)26-17-23(20-9-5-4-6-10-20)24(18-30)29(32-26)36-19-28(33)31-25-11-7-8-12-27(25)34-2/h4-17H,3,19H2,1-2H3,(H,31,33)
InChI Key:
SQOIRCDTRWPDQB-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1nc(SCC(=O)Nc2ccccc2OC)c(c(c1)c1ccccc1)C#N
Properties
Complexity:
729
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:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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