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Home > Pyridines > 140413-27-0
140413-27-0 | Pyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile, 6-ethyl-5,6-dihydro-9-methyl-5-oxo-
CAS No: 140413-27-0 Catalog No: AG001CDV MDL No:
Product Description
Catalog Number:
AG001CDV
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile, 6-ethyl-5,6-dihydro-9-methyl-5-oxo-
CAS Number:
140413-27-0
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
6-ethyl-9-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile
InChI:
InChI=1S/C16H13N3O2/c1-3-19-14-11(9-17)7-10(2)8-13(14)21-15-12(16(19)20)5-4-6-18-15/h4-8H,3H2,1-2H3
InChI Key:
OSNHXMBZJPUQKF-UHFFFAOYSA-N
SMILES:
CCN1c2c(cc(cc2C#N)C)Oc2c(C1=O)cccn2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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