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Home > Pyridines > 866136-73-4
866136-73-4 | 1-[(4-methylphenyl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 866136-73-4 Catalog No: AG00ISGW MDL No:MFCD03787204
Product Description
Catalog Number:
AG00ISGW
Chemical Name:
1-[(4-methylphenyl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
866136-73-4
Molecular Formula:
C18H14N2OS
Molecular Weight:
306.3816
MDL Number:
MFCD03787204
IUPAC Name:
1-[(4-methylphenyl)methyl]-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C18H14N2OS/c1-13-4-6-14(7-5-13)12-20-9-8-15(16(11-19)18(20)21)17-3-2-10-22-17/h2-10H,12H2,1H3
InChI Key:
LSBIVSBSZXINAJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn(c1=O)Cc1ccc(cc1)C)c1cccs1
Properties
Complexity:
549
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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