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140413-25-8

140413-25-8 | Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6-ethyl-9-methyl-7-nitro-

CAS No: 140413-25-8 Catalog No: AG001CDX MDL No:

Product Description

Catalog Number:
AG001CDX
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6-ethyl-9-methyl-7-nitro-
CAS Number:
140413-25-8
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
IUPAC Name:
6-ethyl-9-methyl-7-nitropyrido[2,3-b][1,5]benzoxazepin-5-one
InChI:
InChI=1S/C15H13N3O4/c1-3-17-13-11(18(20)21)7-9(2)8-12(13)22-14-10(15(17)19)5-4-6-16-14/h4-8H,3H2,1-2H3
InChI Key:
JMMPZYQZVRRZDH-UHFFFAOYSA-N
SMILES:
CCN1C(=O)c2cccnc2Oc2c1c(cc(c2)C)[N+](=O)[O-]

Properties

Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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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