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Home > Pyridines > 332177-56-7
332177-56-7 | 2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS No: 332177-56-7 Catalog No: AG01EV87 MDL No:
Product Description
Catalog Number:
AG01EV87
Chemical Name:
2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS Number:
332177-56-7
Molecular Formula:
C30H27N3O4S
Molecular Weight:
525.6181
IUPAC Name:
2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
InChI:
InChI=1S/C30H27N3O4S/c1-4-37-23-13-11-22(12-14-23)32-29(34)19-38-30-25(18-31)24(17-26(33-30)20-8-6-5-7-9-20)21-10-15-27(35-2)28(16-21)36-3/h5-17H,4,19H2,1-3H3,(H,32,34)
InChI Key:
JXOQTQUQJOIAGJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)c1ccc(c(c1)OC)OC)c1ccccc1
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.172g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
525.623g/mol
Monoisotopic Mass:
525.172g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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