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132686-99-8 | 11H-Pyrido[2,3-b][1,5]benzodiazepine-11-acetic acid, 5,6-dihydro-6-methyl-5-oxo-, ethyl ester
CAS No: 132686-99-8 Catalog No: AG001104 MDL No:
Product Description
Catalog Number:
AG001104
Chemical Name:
11H-Pyrido[2,3-b][1,5]benzodiazepine-11-acetic acid, 5,6-dihydro-6-methyl-5-oxo-, ethyl ester
CAS Number:
132686-99-8
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
IUPAC Name:
ethyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate
InChI:
InChI=1S/C17H17N3O3/c1-3-23-15(21)11-20-14-9-5-4-8-13(14)19(2)17(22)12-7-6-10-18-16(12)20/h4-10H,3,11H2,1-2H3
InChI Key:
AASJIDSEQRFGHQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1c2ccccc2n(c(=O)c2c1nccc2)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^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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