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833122-28-4 | 5H-Benzo[f]pyrano[2,3-h]quinoxalin-6-ol, 6,7-dihydro-7,7-dimethyl-
CAS No: 833122-28-4 Catalog No: AG004X9M MDL No:
Product Description
Catalog Number:
AG004X9M
Chemical Name:
5H-Benzo[f]pyrano[2,3-h]quinoxalin-6-ol, 6,7-dihydro-7,7-dimethyl-
CAS Number:
833122-28-4
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
11,11-dimethyl-12-oxa-3,6-diazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),14,16-heptaen-10-ol
InChI:
InChI=1S/C17H16N2O2/c1-17(2)13(20)9-12-15-14(18-7-8-19-15)10-5-3-4-6-11(10)16(12)21-17/h3-8,13,20H,9H2,1-2H3
InChI Key:
MOPFOFCGASRDGJ-UHFFFAOYSA-N
SMILES:
OC1Cc2c(OC1(C)C)c1ccccc1c1c2nccn1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacophore modeling of naphthoquinone derivatives with cytotoxic activity in human promyelocytic leukemia HL-60 cell line. | Journal of medicinal chemistry 20070222 |
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