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332053-25-5 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS No: 332053-25-5 Catalog No: AG01EV1E MDL No:
Product Description
Catalog Number:
AG01EV1E
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS Number:
332053-25-5
Molecular Formula:
C27H21N3OS
Molecular Weight:
435.5401
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C27H21N3OS/c1-19-12-14-21(15-13-19)25-16-23(20-8-4-2-5-9-20)24(17-28)27(30-25)32-18-26(31)29-22-10-6-3-7-11-22/h2-16H,18H2,1H3,(H,29,31)
InChI Key:
SOZVCIUPZKNWRA-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.141g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.545g/mol
Monoisotopic Mass:
435.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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