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Home > Pyridines > 439120-71-5
439120-71-5 | 1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 439120-71-5 Catalog No: AG00IRGW MDL No:MFCD03012367
Product Description
Catalog Number:
AG00IRGW
Chemical Name:
1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
439120-71-5
Molecular Formula:
C21H20N2O2
Molecular Weight:
332.3957
MDL Number:
MFCD03012367
IUPAC Name:
1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C21H20N2O2/c1-21(2,3)16-8-6-15(7-9-16)14-23-11-10-17(18(13-22)20(23)24)19-5-4-12-25-19/h4-12H,14H2,1-3H3
InChI Key:
WUIFUEMKLDXUEJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn(c1=O)Cc1ccc(cc1)C(C)(C)C)c1ccco1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.403g/mol
Monoisotopic Mass:
332.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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