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Home > Pyridines > 478043-01-5
478043-01-5 | 1-[(3-methylphenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 478043-01-5 Catalog No: AG00IP5W MDL No:MFCD00794520
Product Description
Catalog Number:
AG00IP5W
Chemical Name:
1-[(3-methylphenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
478043-01-5
Molecular Formula:
C21H18N2OS
Molecular Weight:
346.4454
MDL Number:
MFCD00794520
IUPAC Name:
1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C21H18N2OS/c1-15-7-6-8-16(11-15)14-23-19(17-9-4-3-5-10-17)12-20(25-2)18(13-22)21(23)24/h3-12H,14H2,1-2H3
InChI Key:
JTKINSZHNVFNHF-UHFFFAOYSA-N
SMILES:
CSc1cc(c2ccccc2)n(c(=O)c1C#N)Cc1cccc(c1)C
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.448g/mol
Monoisotopic Mass:
346.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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