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1221792-03-5 | 1-benzyl-3-(benzyloxy)-5-iodo-2-methyl-1,4-dihydropyridin-4-one
CAS No: 1221792-03-5 Catalog No: AG00IZ8J MDL No:MFCD14584795
Product Description
Catalog Number:
AG00IZ8J
Chemical Name:
1-benzyl-3-(benzyloxy)-5-iodo-2-methyl-1,4-dihydropyridin-4-one
CAS Number:
1221792-03-5
Molecular Formula:
C20H18INO2
Molecular Weight:
431.2669
MDL Number:
MFCD14584795
IUPAC Name:
1-benzyl-5-iodo-2-methyl-3-phenylmethoxypyridin-4-one
InChI:
InChI=1S/C20H18INO2/c1-15-20(24-14-17-10-6-3-7-11-17)19(23)18(21)13-22(15)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3
InChI Key:
YOEWOYYRJBXOEZ-UHFFFAOYSA-N
SMILES:
Ic1cn(Cc2ccccc2)c(c(c1=O)OCc1ccccc1)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.273g/mol
Monoisotopic Mass:
431.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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