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Home > Nitro Compounds > 332114-43-9
332114-43-9 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-propionamide
CAS No: 332114-43-9 Catalog No: AG01EV31 MDL No:
Product Description
Catalog Number:
AG01EV31
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-propionamide
CAS Number:
332114-43-9
Molecular Formula:
C28H22N4O3S
Molecular Weight:
494.5643
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide
InChI:
InChI=1S/C28H22N4O3S/c1-18-11-13-21(14-12-18)26-16-24(20-7-4-3-5-8-20)25(17-29)28(31-26)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:
JZGOPACOBSCKLW-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC(C(=O)Nc2cccc(c2)[N+](=O)[O-])C)nc(cc1c1ccccc1)c1ccc(cc1)C
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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