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132687-06-0

132687-06-0 | 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6-methyl-9-nitro-

CAS No: 132687-06-0 Catalog No: AG0010ZZ MDL No:

Product Description

Catalog Number:
AG0010ZZ
Chemical Name:
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6-methyl-9-nitro-
CAS Number:
132687-06-0
Molecular Formula:
C15H14N4O3
Molecular Weight:
298.2967
IUPAC Name:
11-ethyl-6-methyl-9-nitropyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
InChI Key:
YCFJZPGDTZVVSM-UHFFFAOYSA-N
SMILES:
CCn1c2ncccc2c(=O)n(c2c1cc(cc2)[N+](=O)[O-])C

Properties

Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.107g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.302g/mol
Monoisotopic Mass:
298.107g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.3A^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. 1. Tricyclic pyridobenzo- and dipyridodiazepinones. Journal of medicinal chemistry 19910701

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