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140413-18-9

140413-18-9 | Pyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile, 5,6-dihydro-6-methyl-5-oxo-

CAS No: 140413-18-9 Catalog No: AG001CE3 MDL No:

Product Description

Catalog Number:
AG001CE3
Chemical Name:
Pyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile, 5,6-dihydro-6-methyl-5-oxo-
CAS Number:
140413-18-9
Molecular Formula:
C14H9N3O2
Molecular Weight:
251.2402
IUPAC Name:
6-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile
InChI:
InChI=1S/C14H9N3O2/c1-17-12-9(8-15)4-2-6-11(12)19-13-10(14(17)18)5-3-7-16-13/h2-7H,1H3
InChI Key:
YENCYEFWLBZRGS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1N(C)C(=O)c1c(O2)nccc1

Properties

Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.069g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.245g/mol
Monoisotopic Mass:
251.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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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