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Home > Indoles and Oxindole > 25502-52-7
25502-52-7 | 4,4'-hexane-1,6-diylbistetrahydro-1ah-oxireno[f]isoindole-3,5(2h,4h)-dione
CAS No: 25502-52-7 Catalog No: AG007MT3 MDL No:
Product Description
Catalog Number:
AG007MT3
Chemical Name:
4,4'-hexane-1,6-diylbistetrahydro-1ah-oxireno[f]isoindole-3,5(2h,4h)-dione
CAS Number:
25502-52-7
Molecular Formula:
C22H28N2O6
Molecular Weight:
416.4675
IUPAC Name:
4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C20H20N2O4/c23-17-13-9-1-2-10(7-9)14(13)18(24)21(17)5-6-22-19(25)15-11-3-4-12(8-11)16(15)20(22)26/h1-4,9-16H,5-8H2
InChI Key:
UEULCXCLKPGFQR-UHFFFAOYSA-N
SMILES:
O=C1C2CC3OC3CC2C(=O)N1CCCCCCN1C(=O)C2C(C1=O)CC1C(C2)O1
EC Number:
247-048-0
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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