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Home > Pyridines > 132686-96-5
132686-96-5 | 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-
CAS No: 132686-96-5 Catalog No: AG001107 MDL No:
Product Description
Catalog Number:
AG001107
Chemical Name:
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-
CAS Number:
132686-96-5
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
11-ethyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C14H13N3O/c1-2-17-12-8-4-3-7-11(12)16-14(18)10-6-5-9-15-13(10)17/h3-9H,2H2,1H3,(H,16,18)
InChI Key:
CRAIICFGDIPWGD-UHFFFAOYSA-N
SMILES:
CCn1c2ccccc2[nH]c(=O)c2c1nccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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