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332127-41-0 | N-(2-Bromo-phenyl)-2-[6-(4-chloro-phenyl)-3-cyano-4-phenyl-pyridin-2-ylsulfanyl]-acetamide
CAS No: 332127-41-0 Catalog No: AG01F34K MDL No:
Product Description
Catalog Number:
AG01F34K
Chemical Name:
N-(2-Bromo-phenyl)-2-[6-(4-chloro-phenyl)-3-cyano-4-phenyl-pyridin-2-ylsulfanyl]-acetamide
CAS Number:
332127-41-0
Molecular Formula:
C26H17BrClN3OS
Molecular Weight:
534.8547
IUPAC Name:
N-(2-bromophenyl)-2-[6-(4-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C26H17BrClN3OS/c27-22-8-4-5-9-23(22)30-25(32)16-33-26-21(15-29)20(17-6-2-1-3-7-17)14-24(31-26)18-10-12-19(28)13-11-18/h1-14H,16H2,(H,30,32)
InChI Key:
ZVORTJCLNNKMSO-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2Br)nc(cc1c1ccccc1)c1ccc(cc1)Cl
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.996g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
534.856g/mol
Monoisotopic Mass:
532.996g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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