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Home > Nitro Compounds > 333341-73-4
333341-73-4 | 2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 333341-73-4 Catalog No: AG01EVEK MDL No:
Product Description
Catalog Number:
AG01EVEK
Chemical Name:
2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
333341-73-4
Molecular Formula:
C27H20N4O4S
Molecular Weight:
496.5371
IUPAC Name:
2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O4S/c1-35-22-13-7-19(8-14-22)25-15-23(18-5-3-2-4-6-18)24(16-28)27(30-25)36-17-26(32)29-20-9-11-21(12-10-20)31(33)34/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
KDXWZMSZJAUMRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])c(c(c1)c1ccccc1)C#N
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.121g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
496.541g/mol
Monoisotopic Mass:
496.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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