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Home > Pyridines > 337499-41-9
337499-41-9 | 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CAS No: 337499-41-9 Catalog No: AG01EVJT MDL No:
Product Description
Catalog Number:
AG01EVJT
Chemical Name:
2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CAS Number:
337499-41-9
Molecular Formula:
C29H25N3O4S
Molecular Weight:
511.5915
IUPAC Name:
2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
InChI:
InChI=1S/C29H25N3O4S/c1-34-25-12-8-7-11-23(25)31-28(33)18-37-29-22(17-30)21(16-24(32-29)19-9-5-4-6-10-19)20-13-14-26(35-2)27(15-20)36-3/h4-16H,18H2,1-3H3,(H,31,33)
InChI Key:
SWWFCOLQYQUVOY-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2OC)nc(cc1c1ccc(c(c1)OC)OC)c1ccccc1
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.157g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
511.596g/mol
Monoisotopic Mass:
511.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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