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132687-01-5 | 5H-Pyrido[2,3-b][1,5]benzodiazepine-8-carboxylic acid, 11-ethyl-6,11-dihydro-6-methyl-5-oxo-, methyl ester
CAS No: 132687-01-5 Catalog No: AG001102 MDL No:
Product Description
Catalog Number:
AG001102
Chemical Name:
5H-Pyrido[2,3-b][1,5]benzodiazepine-8-carboxylic acid, 11-ethyl-6,11-dihydro-6-methyl-5-oxo-, methyl ester
CAS Number:
132687-01-5
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
IUPAC Name:
methyl 11-ethyl-6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepine-8-carboxylate
InChI:
InChI=1S/C17H17N3O3/c1-4-20-13-8-7-11(17(22)23-3)10-14(13)19(2)16(21)12-6-5-9-18-15(12)20/h5-10H,4H2,1-3H3
InChI Key:
WAYZVDZHFWJQLW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(C)c(=O)c1c(n2CC)nccc1
Properties
Complexity:
470
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:
3
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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