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Home > Nitro Compounds > 444152-07-2
444152-07-2 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS No: 444152-07-2 Catalog No: AG01EVZQ MDL No:
Product Description
Catalog Number:
AG01EVZQ
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS Number:
444152-07-2
Molecular Formula:
C28H22N4O3S
Molecular Weight:
494.5643
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O3S/c1-18-8-11-21(12-9-18)26-15-23(20-6-4-3-5-7-20)24(16-29)28(31-26)36-17-27(33)30-25-14-22(32(34)35)13-10-19(25)2/h3-15H,17H2,1-2H3,(H,30,33)
InChI Key:
WQYFXKBBJJYPDH-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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