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Home > Nitro Compounds > 444152-73-2
444152-73-2 | 2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS No: 444152-73-2 Catalog No: AG01EW00 MDL No:
Product Description
Catalog Number:
AG01EW00
Chemical Name:
2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS Number:
444152-73-2
Molecular Formula:
C29H24N4O5S
Molecular Weight:
540.5897
IUPAC Name:
2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
InChI:
InChI=1S/C29H24N4O5S/c1-3-38-21-11-9-20(10-12-21)26-16-23(19-7-5-4-6-8-19)24(17-30)29(32-26)39-18-28(34)31-25-14-13-22(37-2)15-27(25)33(35)36/h4-16H,3,18H2,1-2H3,(H,31,34)
InChI Key:
RYFQNOOKKPQDBN-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2[N+](=O)[O-])OC)c(c(c1)c1ccccc1)C#N
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:
6.3
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