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132686-79-4

132686-79-4 | 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-butyl-6,11-dihydro-6-methyl-

CAS No: 132686-79-4 Catalog No: AG0010ZF MDL No:

Product Description

Catalog Number:
AG0010ZF
Chemical Name:
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-butyl-6,11-dihydro-6-methyl-
CAS Number:
132686-79-4
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
IUPAC Name:
11-butyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C17H19N3O/c1-3-4-12-20-15-10-6-5-9-14(15)19(2)17(21)13-8-7-11-18-16(13)20/h5-11H,3-4,12H2,1-2H3
InChI Key:
AVXBKVJHVBCJBB-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2n(c(=O)c2c1nccc2)C

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.359g/mol
Monoisotopic Mass:
281.153g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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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