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132932-29-7 | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 2-chloro-5-ethyl-5,11-dihydro-11-methyl-
CAS No: 132932-29-7 Catalog No: AG0011EI MDL No:
Product Description
Catalog Number:
AG0011EI
Chemical Name:
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 2-chloro-5-ethyl-5,11-dihydro-11-methyl-
CAS Number:
132932-29-7
Molecular Formula:
C15H14ClN3O
Molecular Weight:
287.7442
IUPAC Name:
2-chloro-5-ethyl-11-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
InChI:
InChI=1S/C15H14ClN3O/c1-3-19-12-8-9-13(16)17-14(12)18(2)11-7-5-4-6-10(11)15(19)20/h4-9H,3H2,1-2H3
InChI Key:
BVPOVNJWJKFWDO-UHFFFAOYSA-N
SMILES:
CCn1c2ccc(nc2n(c2c(c1=O)cccc2)C)Cl
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.747g/mol
Monoisotopic Mass:
287.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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