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14527-81-2 | Pyrido[2,3-b][1,4]benzoxazepin-6(5H)-one, 5-methyl-
CAS No: 14527-81-2 Catalog No: AG001KQD MDL No:
Product Description
Catalog Number:
AG001KQD
Chemical Name:
Pyrido[2,3-b][1,4]benzoxazepin-6(5H)-one, 5-methyl-
CAS Number:
14527-81-2
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
5-methylpyrido[2,3-b][1,4]benzoxazepin-6-one
InChI:
InChI=1S/C13H10N2O2/c1-15-10-6-4-8-14-12(10)17-11-7-3-2-5-9(11)13(15)16/h2-8H,1H3
InChI Key:
GIALMQGEJXNQRM-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2Oc2c(N1C)cccn2
Properties
Complexity:
308
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:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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