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Home > Nitro Compounds > 336180-36-0
336180-36-0 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS No: 336180-36-0 Catalog No: AG01EVII MDL No:
Product Description
Catalog Number:
AG01EVII
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS Number:
336180-36-0
Molecular Formula:
C27H20N4O3S
Molecular Weight:
480.5377
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O3S/c1-18-12-13-21(14-25(18)31(33)34)29-26(32)17-35-27-23(16-28)22(19-8-4-2-5-9-19)15-24(30-27)20-10-6-3-7-11-20/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
NQSJBKNSHBRWGO-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.126g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.542g/mol
Monoisotopic Mass:
480.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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