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Home > Indoles and Oxindole > 4388-29-8
4388-29-8 | [2,2'-Bi-2H-isoindole]-1,1',3,3'-tetrone
CAS No: 4388-29-8 Catalog No: AG0072VZ MDL No:MFCD00087284
Product Description
Catalog Number:
AG0072VZ
Chemical Name:
[2,2'-Bi-2H-isoindole]-1,1',3,3'-tetrone
CAS Number:
4388-29-8
Molecular Formula:
C16H8N2O4
Molecular Weight:
292.2457
MDL Number:
MFCD00087284
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C16H8N2O4/c19-13-9-5-1-2-6-10(9)14(20)17(13)18-15(21)11-7-3-4-8-12(11)16(18)22/h1-8H
InChI Key:
PSZKUURJDMPKFK-UHFFFAOYSA-N
SMILES:
O=C1N(N2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
UNII:
SYD6ZK1D28
NSC Number:
66447
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.25g/mol
Monoisotopic Mass:
292.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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