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332127-77-2 | N-Biphenyl-2-yl-2-(3-cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 332127-77-2 Catalog No: AG01F47J MDL No:
Product Description
Catalog Number:
AG01F47J
Chemical Name:
N-Biphenyl-2-yl-2-(3-cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
332127-77-2
Molecular Formula:
C33H25N3OS
Molecular Weight:
511.6361
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
InChI:
InChI=1S/C33H25N3OS/c1-23-16-18-25(19-17-23)28-20-31(26-12-6-3-7-13-26)36-33(29(28)21-34)38-22-32(37)35-30-15-9-8-14-27(30)24-10-4-2-5-11-24/h2-20H,22H2,1H3,(H,35,37)
InChI Key:
KVBCECAPJJQHLX-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2c2ccccc2)nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.172g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
511.643g/mol
Monoisotopic Mass:
511.172g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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