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Home > Pyridines > 140413-11-2
140413-11-2 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-methyl-
CAS No: 140413-11-2 Catalog No: AG001CEA MDL No:
Product Description
Catalog Number:
AG001CEA
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-methyl-
CAS Number:
140413-11-2
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
9-methyl-6H-pyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C13H10N2O2/c1-8-4-5-10-11(7-8)17-13-9(12(16)15-10)3-2-6-14-13/h2-7H,1H3,(H,15,16)
InChI Key:
LIBUCSSGWQGTRG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)Oc1ncccc1C(=O)N2
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:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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