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10189-46-5 | pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
CAS No: 10189-46-5 Catalog No: AG00J7YO MDL No:MFCD00731878
Product Description
Catalog Number:
AG00J7YO
Chemical Name:
pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
CAS Number:
10189-46-5
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD00731878
IUPAC Name:
6H-pyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C12H8N2O2/c15-11-8-4-3-7-13-12(8)16-10-6-2-1-5-9(10)14-11/h1-7H,(H,14,15)
InChI Key:
SMKXEJRITQTCCL-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2Oc2c1cccn2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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