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299164-53-7 | N-(4-Bromo-phenyl)-2-(3-cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 299164-53-7 Catalog No: AG01F4JO MDL No:
Product Description
Catalog Number:
AG01F4JO
Chemical Name:
N-(4-Bromo-phenyl)-2-(3-cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
299164-53-7
Molecular Formula:
C26H18BrN3OS
Molecular Weight:
500.4096
IUPAC Name:
N-(4-bromophenyl)-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetamide
InChI:
InChI=1S/C26H18BrN3OS/c27-20-11-13-21(14-12-20)29-25(31)17-32-26-23(16-28)22(18-7-3-1-4-8-18)15-24(30-26)19-9-5-2-6-10-19/h1-15H,17H2,(H,29,31)
InChI Key:
MUJOIYJTZIEIAT-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.035g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.414g/mol
Monoisotopic Mass:
499.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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