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158276-70-1 | 1H-Isoindole-1,3(2H)-dione, 5-amino-2-(2,6-dimethylphenyl)-
CAS No: 158276-70-1 Catalog No: AG001Q38 MDL No:
Product Description
Catalog Number:
AG001Q38
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-amino-2-(2,6-dimethylphenyl)-
CAS Number:
158276-70-1
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
5-amino-2-(2,6-dimethylphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O2/c1-9-4-3-5-10(2)14(9)18-15(19)12-7-6-11(17)8-13(12)16(18)20/h3-8H,17H2,1-2H3
InChI Key:
URALYBWTMWGVCV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)N(C2=O)c1c(C)cccc1C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Anticonvulsant phenytoinergic pharmacophores and anti-HIV activity--preliminary evidence for the dual requirement of the 4-aminophthalimide platform and the N-(1-adamantyl) substitution for antiviral properties. | Life sciences 19980101 |
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