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332154-99-1 | N-(4-Acetyl-phenyl)-2-(3-cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 332154-99-1 Catalog No: AG01F3S8 MDL No:
Product Description
Catalog Number:
AG01F3S8
Chemical Name:
N-(4-Acetyl-phenyl)-2-(3-cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
332154-99-1
Molecular Formula:
C29H23N3O2S
Molecular Weight:
477.5768
IUPAC Name:
N-(4-acetylphenyl)-2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C29H23N3O2S/c1-19-8-10-23(11-9-19)27-16-25(22-6-4-3-5-7-22)26(17-30)29(32-27)35-18-28(34)31-24-14-12-21(13-15-24)20(2)33/h3-16H,18H2,1-2H3,(H,31,34)
InChI Key:
LUADXBYTAQNZHN-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.151g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.582g/mol
Monoisotopic Mass:
477.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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