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Home > Fluorides > 140413-12-3
140413-12-3 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-fluoro-6-methyl-
CAS No: 140413-12-3 Catalog No: AG001CE9 MDL No:
Product Description
Catalog Number:
AG001CE9
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-fluoro-6-methyl-
CAS Number:
140413-12-3
Molecular Formula:
C13H9FN2O2
Molecular Weight:
244.2212
IUPAC Name:
9-fluoro-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C13H9FN2O2/c1-16-10-5-4-8(14)7-11(10)18-12-9(13(16)17)3-2-6-15-12/h2-7H,1H3
InChI Key:
MOHYLQTWQIHBTI-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)Oc1ncccc1C(=O)N2C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.225g/mol
Monoisotopic Mass:
244.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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