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Home > Nitro Compounds > 332127-79-4
332127-79-4 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-nitro-phenyl)-acetamide
CAS No: 332127-79-4 Catalog No: AG01EV3Y MDL No:
Product Description
Catalog Number:
AG01EV3Y
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(4-nitro-phenyl)-acetamide
CAS Number:
332127-79-4
Molecular Formula:
C27H20N4O3S
Molecular Weight:
480.5377
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O3S/c1-18-7-9-19(10-8-18)23-15-25(20-5-3-2-4-6-20)30-27(24(23)16-28)35-17-26(32)29-21-11-13-22(14-12-21)31(33)34/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
XMRRQYGCAMIHJE-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
758
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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