200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 478042-81-8
478042-81-8 | 1-[(4-methylphenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 478042-81-8 Catalog No: AG00ITXA MDL No:MFCD00794499
Product Description
Catalog Number:
AG00ITXA
Chemical Name:
1-[(4-methylphenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
478042-81-8
Molecular Formula:
C21H18N2OS
Molecular Weight:
346.4454
MDL Number:
MFCD00794499
IUPAC Name:
1-[(4-methylphenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C21H18N2OS/c1-15-8-10-16(11-9-15)14-23-19(17-6-4-3-5-7-17)12-20(25-2)18(13-22)21(23)24/h3-12H,14H2,1-2H3
InChI Key:
XONAPNFCXJFJNU-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC)cc(n(c1=O)Cc1ccc(cc1)C)c1ccccc1
Properties
Complexity:
613
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.