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Home > Nitro Compounds > 332100-73-9
332100-73-9 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide
CAS No: 332100-73-9 Catalog No: AG01EV25 MDL No:
Product Description
Catalog Number:
AG01EV25
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide
CAS Number:
332100-73-9
Molecular Formula:
C29H24N4O4S
Molecular Weight:
524.5903
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
InChI:
InChI=1S/C29H24N4O4S/c1-18-4-6-21(7-5-18)27-15-24(20-8-11-23(37-3)12-9-20)25(16-30)29(32-27)38-17-28(34)31-26-13-10-22(33(35)36)14-19(26)2/h4-15H,17H2,1-3H3,(H,31,34)
InChI Key:
OUZDPGCQYRKBBM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1ccc(cc1C)[N+](=O)[O-])c1ccc(cc1)C
Properties
Complexity:
843
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.152g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
524.595g/mol
Monoisotopic Mass:
524.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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