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132687-03-7

132687-03-7 | 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-7-methyl-

CAS No: 132687-03-7 Catalog No: AG001101 MDL No:

Product Description

Catalog Number:
AG001101
Chemical Name:
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-7-methyl-
CAS Number:
132687-03-7
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
7-methyl-6,11-dihydropyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C13H11N3O/c1-8-4-2-6-10-11(8)16-13(17)9-5-3-7-14-12(9)15-10/h2-7H,1H3,(H,14,15)(H,16,17)
InChI Key:
GXHCCZBZTJWGDT-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1[nH]c(=O)c1c([nH]2)nccc1

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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