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Home > Pyridines > 132687-00-4
132687-00-4 | 5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6,8,9-trimethyl-
CAS No: 132687-00-4 Catalog No: AG001103 MDL No:
Product Description
Catalog Number:
AG001103
Chemical Name:
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 11-ethyl-6,11-dihydro-6,8,9-trimethyl-
CAS Number:
132687-00-4
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
IUPAC Name:
11-ethyl-6,8,9-trimethylpyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C17H19N3O/c1-5-20-15-10-12(3)11(2)9-14(15)19(4)17(21)13-7-6-8-18-16(13)20/h6-10H,5H2,1-4H3
InChI Key:
QVBCGVSBAZFFCX-UHFFFAOYSA-N
SMILES:
CCn1c2ncccc2c(=O)n(c2c1cc(C)c(c2)C)C
Properties
Complexity:
400
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:
1
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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