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Home > Nitro Compounds > 333341-63-2
333341-63-2 | 2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS No: 333341-63-2 Catalog No: AG01EVEH MDL No:
Product Description
Catalog Number:
AG01EVEH
Chemical Name:
2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS Number:
333341-63-2
Molecular Formula:
C27H20N4O4S
Molecular Weight:
496.5371
IUPAC Name:
2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O4S/c1-35-22-12-10-19(11-13-22)25-15-23(18-6-3-2-4-7-18)24(16-28)27(30-25)36-17-26(32)29-20-8-5-9-21(14-20)31(33)34/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
NTKYAJARSNDXID-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])c(c(c1)c1ccccc1)C#N
Properties
Complexity:
784
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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