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336180-22-4 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(4-iodo-2-methyl-phenyl)-acetamide
CAS No: 336180-22-4 Catalog No: AG01EVID MDL No:
Product Description
Catalog Number:
AG01EVID
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-N-(4-iodo-2-methyl-phenyl)-acetamide
CAS Number:
336180-22-4
Molecular Formula:
C27H20IN3OS
Molecular Weight:
561.4367
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
InChI:
InChI=1S/C27H20IN3OS/c1-18-14-21(28)12-13-24(18)30-26(32)17-33-27-23(16-29)22(19-8-4-2-5-9-19)15-25(31-27)20-10-6-3-7-11-20/h2-15H,17H2,1H3,(H,30,32)
InChI Key:
ZAGUZGJUMWBJFM-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2C)I)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.037g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
561.441g/mol
Monoisotopic Mass:
561.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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