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Home > Pyridines > 140413-17-8
140413-17-8 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-methoxy-6-methyl-
CAS No: 140413-17-8 Catalog No: AG001CE4 MDL No:
Product Description
Catalog Number:
AG001CE4
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 9-methoxy-6-methyl-
CAS Number:
140413-17-8
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
9-methoxy-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C14H12N2O3/c1-16-11-6-5-9(18-2)8-12(11)19-13-10(14(16)17)4-3-7-15-13/h3-8H,1-2H3
InChI Key:
RZCMGKXPQSNVRP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Oc1ncccc1C(=O)N2C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.7A^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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