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332127-54-5 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
CAS No: 332127-54-5 Catalog No: AG01EV3T MDL No:
Product Description
Catalog Number:
AG01EV3T
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
CAS Number:
332127-54-5
Molecular Formula:
C29H25N3O2S
Molecular Weight:
479.5927
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
InChI:
InChI=1S/C29H25N3O2S/c1-3-34-24-15-13-23(14-16-24)31-28(33)19-35-29-26(18-30)25(21-11-9-20(2)10-12-21)17-27(32-29)22-7-5-4-6-8-22/h4-17H,3,19H2,1-2H3,(H,31,33)
InChI Key:
PTOOUKPREUYIBO-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.167g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.598g/mol
Monoisotopic Mass:
479.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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