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121386-99-0 | 17-hydroxy-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CAS No: 121386-99-0 Catalog No: AG01FOPP MDL No:
Product Description
Catalog Number:
AG01FOPP
Chemical Name:
17-hydroxy-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
CAS Number:
121386-99-0
IUPAC Name:
17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
InChI:
InChI=1S/C18H13NO3/c20-17-15-13-9-5-1-2-6-10(9)14(16(15)18(21)19(17)22)12-8-4-3-7-11(12)13/h1-8,13-16,22H
InChI Key:
DDUDCIJMSQNCKW-UHFFFAOYSA-N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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