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Home > Indoles and Oxindole > 115008-02-1
115008-02-1 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(4'-methyl[2,2'-bipyridin]-4-yl)butyl]-
CAS No: 115008-02-1 Catalog No: AG000FL2 MDL No:
Product Description
Catalog Number:
AG000FL2
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(4'-methyl[2,2'-bipyridin]-4-yl)butyl]-
CAS Number:
115008-02-1
Molecular Formula:
C23H21N3O2
Molecular Weight:
371.4317
IUPAC Name:
2-[4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butyl]isoindole-1,3-dione
InChI:
InChI=1S/C23H21N3O2/c1-16-9-11-24-20(14-16)21-15-17(10-12-25-21)6-4-5-13-26-22(27)18-7-2-3-8-19(18)23(26)28/h2-3,7-12,14-15H,4-6,13H2,1H3
InChI Key:
KZUZNWJDQZNLJS-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)c1nccc(c1)CCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.44g/mol
Monoisotopic Mass:
371.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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