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Home > Pyridines > 140413-16-7
140413-16-7 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-hydroxy-6-methyl-
CAS No: 140413-16-7 Catalog No: AG001CE5 MDL No:
Product Description
Catalog Number:
AG001CE5
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-hydroxy-6-methyl-
CAS Number:
140413-16-7
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
9-hydroxy-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C13H10N2O3/c1-15-10-5-4-8(16)7-11(10)18-12-9(13(15)17)3-2-6-14-12/h2-7,16H,1H3
InChI Key:
JKBBQPSIEMHKTB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)Oc1ncccc1C(=O)N2C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 2. Tricyclic pyridobenzoxazepinones and dibenzoxazepinones. | Journal of medicinal chemistry 19920515 |
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