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Home > Indoles and Oxindole > 63563-83-7
63563-83-7 | 2,2'-[iminobis(ethane-2,1-diyl)]bis(1H-isoindole-1,3(2H)-dione)
CAS No: 63563-83-7 Catalog No: AG00J818 MDL No:MFCD00186556
Product Description
Catalog Number:
AG00J818
Chemical Name:
2,2'-[iminobis(ethane-2,1-diyl)]bis(1H-isoindole-1,3(2H)-dione)
CAS Number:
63563-83-7
Molecular Formula:
C20H17N3O4
Molecular Weight:
363.3667
MDL Number:
MFCD00186556
IUPAC Name:
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H17N3O4/c24-17-13-5-1-2-6-14(13)18(25)22(17)11-9-21-10-12-23-19(26)15-7-3-4-8-16(15)20(23)27/h1-8,21H,9-12H2
InChI Key:
YQNSTSVPCJTWSA-UHFFFAOYSA-N
SMILES:
O=C1N(CCNCCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
NSC Number:
607033
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.373g/mol
Monoisotopic Mass:
363.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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