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Home > Pyridines > 140413-23-6
140413-23-6 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6-ethyl-7,9-dimethyl-
CAS No: 140413-23-6 Catalog No: AG001CDZ MDL No:
Product Description
Catalog Number:
AG001CDZ
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6-ethyl-7,9-dimethyl-
CAS Number:
140413-23-6
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
6-ethyl-7,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C16H16N2O2/c1-4-18-14-11(3)8-10(2)9-13(14)20-15-12(16(18)19)6-5-7-17-15/h5-9H,4H2,1-3H3
InChI Key:
KBNAVAPRJRYDCX-UHFFFAOYSA-N
SMILES:
CCN1c2c(cc(cc2C)C)Oc2c(C1=O)cccn2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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