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Home > Pyridines > 140410-59-9
140410-59-9 | [1,2,5]Oxadiazolo[3,4-d]pyridazine, 4,7-diphenyl-, 3-oxide
CAS No: 140410-59-9 Catalog No: AG001CEH MDL No:
Product Description
Catalog Number:
AG001CEH
Chemical Name:
[1,2,5]Oxadiazolo[3,4-d]pyridazine, 4,7-diphenyl-, 3-oxide
CAS Number:
140410-59-9
Molecular Formula:
C16H10N4O2
Molecular Weight:
290.2762
IUPAC Name:
3-oxido-4,7-diphenyl-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium
InChI:
InChI=1S/C16H10N4O2/c21-20-16-14(12-9-5-2-6-10-12)18-17-13(15(16)19-22-20)11-7-3-1-4-8-11/h1-10H
InChI Key:
WUNSSTSTDJNGMM-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc2c1c(nnc2c1ccccc1)c1ccccc1
NSC Number:
520580
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.282g/mol
Monoisotopic Mass:
290.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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