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Home > Indoles and Oxindole > 77855-16-4
77855-16-4 | 5H-Indolo[2,3-b]quinoxaline, 1,4-bis(heptyloxy)-
CAS No: 77855-16-4 Catalog No: AG005ERE MDL No:
Product Description
Catalog Number:
AG005ERE
Chemical Name:
5H-Indolo[2,3-b]quinoxaline, 1,4-bis(heptyloxy)-
CAS Number:
77855-16-4
Molecular Formula:
C28H37N3O2
Molecular Weight:
447.6123
IUPAC Name:
1,4-diheptoxy-6H-indolo[3,2-b]quinoxaline
InChI:
InChI=1S/C28H37N3O2/c1-3-5-7-9-13-19-32-23-17-18-24(33-20-14-10-8-6-4-2)27-26(23)30-25-21-15-11-12-16-22(21)29-28(25)31-27/h11-12,15-18H,3-10,13-14,19-20H2,1-2H3,(H,29,31)
InChI Key:
XBHJCRSRCXYXLH-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(c2c1[nH]c1nc3c(c1n2)cccc3)OCCCCCCC
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.289g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.623g/mol
Monoisotopic Mass:
447.289g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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