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Home > Pyridines > 332114-63-3
332114-63-3 | 2-[3-Cyano-4,6-bis-(4-methoxy-phenyl)-pyridin-2-ylsulfanyl]-N-naphthalen-1-yl-acetamide
CAS No: 332114-63-3 Catalog No: AG01EV37 MDL No:
Product Description
Catalog Number:
AG01EV37
Chemical Name:
2-[3-Cyano-4,6-bis-(4-methoxy-phenyl)-pyridin-2-ylsulfanyl]-N-naphthalen-1-yl-acetamide
CAS Number:
332114-63-3
Molecular Formula:
C32H25N3O3S
Molecular Weight:
531.6242
IUPAC Name:
2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
InChI:
InChI=1S/C32H25N3O3S/c1-37-24-14-10-22(11-15-24)27-18-30(23-12-16-25(38-2)17-13-23)35-32(28(27)19-33)39-20-31(36)34-29-9-5-7-21-6-3-4-8-26(21)29/h3-18H,20H2,1-2H3,(H,34,36)
InChI Key:
HBSGWRGFGJNLEE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SCC(=O)Nc2cccc3c2cccc3)c(c(c1)c1ccc(cc1)OC)C#N
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.162g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
531.63g/mol
Monoisotopic Mass:
531.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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