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Home > Pyridines > 332053-31-3
332053-31-3 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-propionamide
CAS No: 332053-31-3 Catalog No: AG01EV1G MDL No:
Product Description
Catalog Number:
AG01EV1G
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,6-dimethyl-phenyl)-propionamide
CAS Number:
332053-31-3
Molecular Formula:
C30H27N3OS
Molecular Weight:
477.6199
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)propanamide
InChI:
InChI=1S/C30H27N3OS/c1-19-13-15-24(16-14-19)27-17-25(23-11-6-5-7-12-23)26(18-31)30(32-27)35-22(4)29(34)33-28-20(2)9-8-10-21(28)3/h5-17,22H,1-4H3,(H,33,34)
InChI Key:
OLIWCWKDZNASKE-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC(C(=O)Nc2c(C)cccc2C)C)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
725
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:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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