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Home > Indoles and Oxindole > 85438-53-5
85438-53-5 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis-
CAS No: 85438-53-5 Catalog No: AG004NNM MDL No:
Product Description
Catalog Number:
AG004NNM
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis-
CAS Number:
85438-53-5
Molecular Formula:
C28H16N2O6S
Molecular Weight:
508.5014
IUPAC Name:
2-[4-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylphenyl]isoindole-1,3-dione
InChI:
InChI=1S/C28H16N2O6S/c31-25-21-5-1-2-6-22(21)26(32)29(25)17-9-13-19(14-10-17)37(35,36)20-15-11-18(12-16-20)30-27(33)23-7-3-4-8-24(23)28(30)34/h1-16H
InChI Key:
YPEVDIBALQEQNO-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc(cc2)S(=O)(=O)c2ccc(cc2)N2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
NSC Number:
243497
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.073g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.504g/mol
Monoisotopic Mass:
508.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro anti Mycobacterium tuberculosis activity of a series of phthalimide derivatives. | Bioorganic & medicinal chemistry 20090601 |
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