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332358-42-6 | 2-[3-Cyano-6-(4-fluoro-phenyl)-4-p-tolyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 332358-42-6 Catalog No: AG01EV8E MDL No:
Product Description
Catalog Number:
AG01EV8E
Chemical Name:
2-[3-Cyano-6-(4-fluoro-phenyl)-4-p-tolyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
332358-42-6
Molecular Formula:
C27H19FN4O3S
Molecular Weight:
498.5282
IUPAC Name:
2-[3-cyano-6-(4-fluorophenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C27H19FN4O3S/c1-17-2-4-18(5-3-17)23-14-25(19-6-8-20(28)9-7-19)31-27(24(23)15-29)36-16-26(33)30-21-10-12-22(13-11-21)32(34)35/h2-14H,16H2,1H3,(H,30,33)
InChI Key:
WZUABTVZNJJPLV-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nc(cc1c1ccc(cc1)C)c1ccc(cc1)F
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.116g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
498.532g/mol
Monoisotopic Mass:
498.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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