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Home > Pyridines > 114368-13-7
114368-13-7 | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2,4-dimethyl-
CAS No: 114368-13-7 Catalog No: AG000B67 MDL No:
Product Description
Catalog Number:
AG000B67
Chemical Name:
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2,4-dimethyl-
CAS Number:
114368-13-7
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
2,4-dimethyl-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
InChI:
InChI=1S/C14H13N3O/c1-8-7-9(2)15-13-12(8)17-14(18)10-5-3-4-6-11(10)16-13/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChI Key:
NEJSZRPFHKBQHV-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1)[nH]c1ccccc1c(=O)[nH]2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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