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332127-50-1 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CAS No: 332127-50-1 Catalog No: AG01EV3Q MDL No:
Product Description
Catalog Number:
AG01EV3Q
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CAS Number:
332127-50-1
Molecular Formula:
C28H23N3OS
Molecular Weight:
449.5667
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
InChI:
InChI=1S/C28H23N3OS/c1-19-12-14-21(15-13-19)23-16-26(22-9-4-3-5-10-22)31-28(24(23)17-29)33-18-27(32)30-25-11-7-6-8-20(25)2/h3-16H,18H2,1-2H3,(H,30,32)
InChI Key:
COOYHJOIGRQXBC-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2C)nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.156g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.572g/mol
Monoisotopic Mass:
449.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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