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332128-10-6 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CAS No: 332128-10-6 Catalog No: AG01EV48 MDL No:
Product Description
Catalog Number:
AG01EV48
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CAS Number:
332128-10-6
Molecular Formula:
C28H23N3O2S
Molecular Weight:
465.5661
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
InChI:
InChI=1S/C28H23N3O2S/c1-19-8-10-20(11-9-19)24-16-26(21-6-4-3-5-7-21)31-28(25(24)17-29)34-18-27(32)30-22-12-14-23(33-2)15-13-22/h3-16H,18H2,1-2H3,(H,30,32)
InChI Key:
UUAWKYJILJFVJF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.571g/mol
Monoisotopic Mass:
465.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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