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332388-06-4 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-ethyl-6-methyl-phenyl)-acetamide
CAS No: 332388-06-4 Catalog No: AG01EVAV MDL No:
Product Description
Catalog Number:
AG01EVAV
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-ethyl-6-methyl-phenyl)-acetamide
CAS Number:
332388-06-4
Molecular Formula:
C30H27N3OS
Molecular Weight:
477.6199
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
InChI:
InChI=1S/C30H27N3OS/c1-4-22-12-8-9-21(3)29(22)33-28(34)19-35-30-26(18-31)25(23-10-6-5-7-11-23)17-27(32-30)24-15-13-20(2)14-16-24/h5-17H,4,19H2,1-3H3,(H,33,34)
InChI Key:
BUIBUDUCDIHWIF-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2c(C)cccc2CC)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.187g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.626g/mol
Monoisotopic Mass:
477.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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