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332127-91-0 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-ethyl-phenyl)-acetamide
CAS No: 332127-91-0 Catalog No: AG01EV41 MDL No:
Product Description
Catalog Number:
AG01EV41
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(2-ethyl-phenyl)-acetamide
CAS Number:
332127-91-0
Molecular Formula:
C29H25N3OS
Molecular Weight:
463.5933
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
InChI:
InChI=1S/C29H25N3OS/c1-3-21-9-7-8-12-26(21)31-28(33)19-34-29-25(18-30)24(22-15-13-20(2)14-16-22)17-27(32-29)23-10-5-4-6-11-23/h4-17H,3,19H2,1-2H3,(H,31,33)
InChI Key:
VZHJHZBYTBLYCE-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2CC)nc(cc1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
691
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:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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