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833122-18-2

833122-18-2 | 5H-Benzo[f]pyrano[2,3-h]quinoxaline, 6,7-dihydro-7,7-dimethyl-

CAS No: 833122-18-2 Catalog No: AG004T0R MDL No:

Product Description

Catalog Number:
AG004T0R
Chemical Name:
5H-Benzo[f]pyrano[2,3-h]quinoxaline, 6,7-dihydro-7,7-dimethyl-
CAS Number:
833122-18-2
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
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-heptaene
InChI:
InChI=1S/C17H16N2O/c1-17(2)8-7-13-15-14(18-9-10-19-15)11-5-3-4-6-12(11)16(13)20-17/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
MTTCJOLBNDKEAW-UHFFFAOYSA-N
SMILES:
CC1(C)CCc2c(O1)c1ccccc1c1c2nccn1

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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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