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140413-21-4 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 3-amino-6-ethyl-8,9-dimethyl-
CAS No: 140413-21-4 Catalog No: AG001CE1 MDL No:
Product Description
Catalog Number:
AG001CE1
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 3-amino-6-ethyl-8,9-dimethyl-
CAS Number:
140413-21-4
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
IUPAC Name:
3-amino-6-ethyl-8,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C16H17N3O2/c1-4-19-13-5-9(2)10(3)6-14(13)21-15-12(16(19)20)7-11(17)8-18-15/h5-8H,4,17H2,1-3H3
InChI Key:
LQQHADUYCCSZCE-UHFFFAOYSA-N
SMILES:
CCN1c2cc(C)c(cc2Oc2c(C1=O)cc(N)cn2)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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