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Home > Pyridines > 332101-80-1
332101-80-1 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS No: 332101-80-1 Catalog No: AG01EV2O MDL No:
Product Description
Catalog Number:
AG01EV2O
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-ethoxy-phenyl)-acetamide
CAS Number:
332101-80-1
Molecular Formula:
C29H25N3O3S
Molecular Weight:
495.5921
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
InChI:
InChI=1S/C29H25N3O3S/c1-3-35-24-15-11-22(12-16-24)31-28(33)19-36-29-26(18-30)25(20-9-13-23(34-2)14-10-20)17-27(32-29)21-7-5-4-6-8-21/h4-17H,3,19H2,1-2H3,(H,31,33)
InChI Key:
YLBNYMLWEDKJLX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
721
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:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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