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Home > Pyridines > 334497-57-3
334497-57-3 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS No: 334497-57-3 Catalog No: AG01EVFM MDL No:
Product Description
Catalog Number:
AG01EVFM
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS Number:
334497-57-3
Molecular Formula:
C27H21N3OS
Molecular Weight:
435.5401
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C27H21N3OS/c1-19-12-14-20(15-13-19)23-16-25(21-8-4-2-5-9-21)30-27(24(23)17-28)32-18-26(31)29-22-10-6-3-7-11-22/h2-16H,18H2,1H3,(H,29,31)
InChI Key:
JEIQDCZZBJJZIK-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.141g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.545g/mol
Monoisotopic Mass:
435.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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