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Home > Pyridines > 337924-08-0
337924-08-0 | 2-[3-Cyano-4-(2-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2,5-dimethoxy-phenyl)-acetamide
CAS No: 337924-08-0 Catalog No: AG01EVKJ MDL No:
Product Description
Catalog Number:
AG01EVKJ
Chemical Name:
2-[3-Cyano-4-(2-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2,5-dimethoxy-phenyl)-acetamide
CAS Number:
337924-08-0
Molecular Formula:
C30H27N3O4S
Molecular Weight:
525.6181
IUPAC Name:
2-[3-cyano-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C30H27N3O4S/c1-19-9-11-20(12-10-19)25-16-23(22-7-5-6-8-27(22)36-3)24(17-31)30(33-25)38-18-29(34)32-26-15-21(35-2)13-14-28(26)37-4/h5-16H,18H2,1-4H3,(H,32,34)
InChI Key:
DARRYVQFLZBGHN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)CSc1nc(cc(c1C#N)c1ccccc1OC)c1ccc(cc1)C)OC
Properties
Complexity:
798
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:
9
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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