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334497-54-0 | N-(4-Bromo-phenyl)-2-(3-cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 334497-54-0 Catalog No: AG01F3WL MDL No:
Product Description
Catalog Number:
AG01F3WL
Chemical Name:
N-(4-Bromo-phenyl)-2-(3-cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
334497-54-0
Molecular Formula:
C27H20BrN3OS
Molecular Weight:
514.4362
IUPAC Name:
N-(4-bromophenyl)-2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C27H20BrN3OS/c1-18-7-9-19(10-8-18)23-15-25(20-5-3-2-4-6-20)31-27(24(23)16-29)33-17-26(32)30-22-13-11-21(28)12-14-22/h2-15H,17H2,1H3,(H,30,32)
InChI Key:
YLJHOISCYDCICJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.051g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.441g/mol
Monoisotopic Mass:
513.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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