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Home > Nitro Compounds > 332053-22-2
332053-22-2 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-acetamide
CAS No: 332053-22-2 Catalog No: AG01EV1C MDL No:
Product Description
Catalog Number:
AG01EV1C
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(3-nitro-phenyl)-acetamide
CAS Number:
332053-22-2
Molecular Formula:
C27H20N4O3S
Molecular Weight:
480.5377
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O3S/c1-18-10-12-20(13-11-18)25-15-23(19-6-3-2-4-7-19)24(16-28)27(30-25)35-17-26(32)29-21-8-5-9-22(14-21)31(33)34/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
OBZNVDIMMYQUTO-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
766
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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