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132686-98-7 | 11H-Pyrido[2,3-b][1,5]benzodiazepine-11-acetic acid, 5,6-dihydro-6-methyl-5-oxo-, 1,1-dimethylethyl ester
CAS No: 132686-98-7 Catalog No: AG001105 MDL No:
Product Description
Catalog Number:
AG001105
Chemical Name:
11H-Pyrido[2,3-b][1,5]benzodiazepine-11-acetic acid, 5,6-dihydro-6-methyl-5-oxo-, 1,1-dimethylethyl ester
CAS Number:
132686-98-7
Molecular Formula:
C19H21N3O3
Molecular Weight:
339.3883
IUPAC Name:
tert-butyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate
InChI:
InChI=1S/C19H21N3O3/c1-19(2,3)25-16(23)12-22-15-10-6-5-9-14(15)21(4)18(24)13-8-7-11-20-17(13)22/h5-11H,12H2,1-4H3
InChI Key:
NLYXSYJBSDBVBO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cn1c2ccccc2n(c(=O)c2c1nccc2)C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.395g/mol
Monoisotopic Mass:
339.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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