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Home > Nitro Compounds > 332128-03-7
332128-03-7 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-propionamide
CAS No: 332128-03-7 Catalog No: AG01EV44 MDL No:
Product Description
Catalog Number:
AG01EV44
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-propionamide
CAS Number:
332128-03-7
Molecular Formula:
C28H22N4O3S
Molecular Weight:
494.5643
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide
InChI:
InChI=1S/C28H22N4O3S/c1-18-11-13-20(14-12-18)24-16-26(21-7-4-3-5-8-21)31-28(25(24)17-29)36-19(2)27(33)30-22-9-6-10-23(15-22)32(34)35/h3-16,19H,1-2H3,(H,30,33)
InChI Key:
QJQJMYXJWYEHIF-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC(C(=O)Nc2cccc(c2)[N+](=O)[O-])C)nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.141g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.569g/mol
Monoisotopic Mass:
494.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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