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Home > Fluorides > 337923-92-9
337923-92-9 | 2-[3-Cyano-4-(2-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
CAS No: 337923-92-9 Catalog No: AG01EVKI MDL No:
Product Description
Catalog Number:
AG01EVKI
Chemical Name:
2-[3-Cyano-4-(2-methoxy-phenyl)-6-p-tolyl-pyridin-2-ylsulfanyl]-N-(2-trifluoromethyl-phenyl)-acetamide
CAS Number:
337923-92-9
Molecular Formula:
C29H22F3N3O2S
Molecular Weight:
533.5641
IUPAC Name:
2-[3-cyano-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C29H22F3N3O2S/c1-18-11-13-19(14-12-18)25-15-21(20-7-3-6-10-26(20)37-2)22(16-33)28(35-25)38-17-27(36)34-24-9-5-4-8-23(24)29(30,31)32/h3-15H,17H2,1-2H3,(H,34,36)
InChI Key:
WHPLJFXDMKAFAX-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc(cc1c1ccccc1OC)c1ccc(cc1)C
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.138g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
533.569g/mol
Monoisotopic Mass:
533.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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