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Home > Nitro Compounds > 336180-37-1
336180-37-1 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS No: 336180-37-1 Catalog No: AG01EVIJ MDL No:
Product Description
Catalog Number:
AG01EVIJ
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-2-nitro-phenyl)-acetamide
CAS Number:
336180-37-1
Molecular Formula:
C27H20N4O4S
Molecular Weight:
496.5371
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O4S/c1-35-20-12-13-23(25(14-20)31(33)34)29-26(32)17-36-27-22(16-28)21(18-8-4-2-5-9-18)15-24(30-27)19-10-6-3-7-11-19/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
AATUIAWOFIVDKN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nc(cc(c1C#N)c1ccccc1)c1ccccc1
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.121g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
496.541g/mol
Monoisotopic Mass:
496.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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