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332128-22-0

332128-22-0 | N-(4-Acetyl-phenyl)-2-[4-(4-tert-butyl-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetamide

CAS No: 332128-22-0 Catalog No: AG01F2VJ MDL No:

Product Description

Catalog Number:
AG01F2VJ
Chemical Name:
N-(4-Acetyl-phenyl)-2-[4-(4-tert-butyl-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetamide
CAS Number:
332128-22-0
Molecular Formula:
C32H29N3O2S
Molecular Weight:
519.6566
IUPAC Name:
N-(4-acetylphenyl)-2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C32H29N3O2S/c1-21(36)22-12-16-26(17-13-22)34-30(37)20-38-31-28(19-33)27(18-29(35-31)24-8-6-5-7-9-24)23-10-14-25(15-11-23)32(2,3)4/h5-18H,20H2,1-4H3,(H,34,37)
InChI Key:
BGOJKVCVQMHEID-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc(cc1c1ccc(cc1)C(C)(C)C)c1ccccc1

Properties

Complexity:
839  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.198g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
519.663g/mol
Monoisotopic Mass:
519.198g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  

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