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332127-52-3 | 2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(3,4-dimethyl-phenyl)-acetamide
CAS No: 332127-52-3 Catalog No: AG01EV3R MDL No:
Product Description
Catalog Number:
AG01EV3R
Chemical Name:
2-(3-Cyano-6-phenyl-4-p-tolyl-pyridin-2-ylsulfanyl)-N-(3,4-dimethyl-phenyl)-acetamide
CAS Number:
332127-52-3
Molecular Formula:
C29H25N3OS
Molecular Weight:
463.5933
IUPAC Name:
2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
InChI:
InChI=1S/C29H25N3OS/c1-19-9-12-22(13-10-19)25-16-27(23-7-5-4-6-8-23)32-29(26(25)17-30)34-18-28(33)31-24-14-11-20(2)21(3)15-24/h4-16H,18H2,1-3H3,(H,31,33)
InChI Key:
SGXIDSZXSQMALI-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccc(c(c2)C)C)nc(cc1c1ccc(cc1)C)c1ccccc1
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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