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332155-00-7 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CAS No: 332155-00-7 Catalog No: AG01EV4M MDL No:
Product Description
Catalog Number:
AG01EV4M
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CAS Number:
332155-00-7
Molecular Formula:
C29H25N3O3S
Molecular Weight:
495.5921
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C29H25N3O3S/c1-19-9-11-21(12-10-19)25-16-23(20-7-5-4-6-8-20)24(17-30)29(32-25)36-18-28(33)31-26-15-22(34-2)13-14-27(26)35-3/h4-16H,18H2,1-3H3,(H,31,33)
InChI Key:
YUYNLPRNAIATQP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)CSc1nc(cc(c1C#N)c1ccccc1)c1ccc(cc1)C)OC
Properties
Complexity:
743
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:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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