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16232-39-6

16232-39-6 | 3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-6-methyl-2-oxo-4,6-diphenyl-

CAS No: 16232-39-6 Catalog No: AG001SZV MDL No:MFCD00818147

Product Description

Catalog Number:
AG001SZV
Chemical Name:
3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-6-methyl-2-oxo-4,6-diphenyl-
CAS Number:
16232-39-6
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
MDL Number:
MFCD00818147
IUPAC Name:
2-methyl-6-oxo-2,4-diphenyl-1,3-dihydropyridine-5-carbonitrile
InChI:
InChI=1S/C19H16N2O/c1-19(15-10-6-3-7-11-15)12-16(14-8-4-2-5-9-14)17(13-20)18(22)21-19/h2-11H,12H2,1H3,(H,21,22)
InChI Key:
QTMKNCZDUKCLAQ-UHFFFAOYSA-N
SMILES:
N#CC1=C(CC(NC1=O)(C)c1ccccc1)c1ccccc1
NSC Number:
108297

Properties

Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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