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332100-72-8 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,5-dimethyl-phenyl)-acetamide
CAS No: 332100-72-8 Catalog No: AG01EV24 MDL No:
Product Description
Catalog Number:
AG01EV24
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-(2,5-dimethyl-phenyl)-acetamide
CAS Number:
332100-72-8
Molecular Formula:
C29H25N3OS
Molecular Weight:
463.5933
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
InChI:
InChI=1S/C29H25N3OS/c1-19-10-13-23(14-11-19)27-16-24(22-7-5-4-6-8-22)25(17-30)29(32-27)34-18-28(33)31-26-15-20(2)9-12-21(26)3/h4-16H,18H2,1-3H3,(H,31,33)
InChI Key:
DCFLHSSWHKRPDE-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2cc(C)ccc2C)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.172g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.599g/mol
Monoisotopic Mass:
463.172g/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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