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Home > Pyridines > 478249-08-0
478249-08-0 | 1-[(2-methylphenyl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 478249-08-0 Catalog No: AG00IZ5H MDL No:MFCD02571468
Product Description
Catalog Number:
AG00IZ5H
Chemical Name:
1-[(2-methylphenyl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
478249-08-0
Molecular Formula:
C18H14N2OS
Molecular Weight:
306.3816
MDL Number:
MFCD02571468
IUPAC Name:
1-[(2-methylphenyl)methyl]-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C18H14N2OS/c1-13-5-2-3-6-14(13)12-20-9-8-15(16(11-19)18(20)21)17-7-4-10-22-17/h2-10H,12H2,1H3
InChI Key:
OECFEDKXGQNJIM-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn(c1=O)Cc1ccccc1C)c1cccs1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.383g/mol
Monoisotopic Mass:
306.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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