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Home > Nitro Compounds > 332053-13-1
332053-13-1 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(2-nitro-phenyl)-acetamide
CAS No: 332053-13-1 Catalog No: AG01EV18 MDL No:
Product Description
Catalog Number:
AG01EV18
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(2-nitro-phenyl)-acetamide
CAS Number:
332053-13-1
Molecular Formula:
C26H18N4O3S
Molecular Weight:
466.5111
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
InChI:
InChI=1S/C26H18N4O3S/c27-16-21-20(18-9-3-1-4-10-18)15-23(19-11-5-2-6-12-19)29-26(21)34-17-25(31)28-22-13-7-8-14-24(22)30(32)33/h1-15H,17H2,(H,28,31)
InChI Key:
NCMABYBJIGHCDM-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.11g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.515g/mol
Monoisotopic Mass:
466.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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