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332171-01-4 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CAS No: 332171-01-4 Catalog No: AG01EV72 MDL No:
Product Description
Catalog Number:
AG01EV72
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CAS Number:
332171-01-4
Molecular Formula:
C28H23N3O2S
Molecular Weight:
465.5661
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
InChI:
InChI=1S/C28H23N3O2S/c1-19-12-14-21(15-13-19)25-16-22(20-8-4-3-5-9-20)23(17-29)28(31-25)34-18-27(32)30-24-10-6-7-11-26(24)33-2/h3-16H,18H2,1-2H3,(H,30,32)
InChI Key:
MEFSMILGGAFDLL-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2OC)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.571g/mol
Monoisotopic Mass:
465.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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