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24675-93-2 | 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2-phenyl-
CAS No: 24675-93-2 Catalog No: AG002P0H MDL No:
Product Description
Catalog Number:
AG002P0H
Chemical Name:
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2-phenyl-
CAS Number:
24675-93-2
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
2-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
InChI:
InChI=1S/C13H10N2O2/c16-13-11(9-5-2-1-3-6-9)17-10-7-4-8-14-12(10)15-13/h1-8,11H,(H,14,15,16)
InChI Key:
WCRBATJQPYIJHF-UHFFFAOYSA-N
SMILES:
O=C1Nc2ncccc2OC1c1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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