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Home > Nitro Compounds > 332162-69-3
332162-69-3 | 2-[3-Cyano-4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 332162-69-3 Catalog No: AG01EV6P MDL No:
Product Description
Catalog Number:
AG01EV6P
Chemical Name:
2-[3-Cyano-4-(4-ethoxy-3-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
332162-69-3
Molecular Formula:
C29H24N4O5S
Molecular Weight:
540.5897
IUPAC Name:
2-[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C29H24N4O5S/c1-3-38-26-14-9-20(15-27(26)37-2)23-16-25(19-7-5-4-6-8-19)32-29(24(23)17-30)39-18-28(34)31-21-10-12-22(13-11-21)33(35)36/h4-16H,3,18H2,1-2H3,(H,31,34)
InChI Key:
KETUYYICZWQUQE-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1OC)c1cc(nc(c1C#N)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.147g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
540.594g/mol
Monoisotopic Mass:
540.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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