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Home > Indoles and Oxindole > 855291-04-2
855291-04-2 | 1-Azabicyclo[2.2.2]octane, 3-[4-(1H-indol-4-yl)phenoxy]-
CAS No: 855291-04-2 Catalog No: AG004USL MDL No:
Product Description
Catalog Number:
AG004USL
Chemical Name:
1-Azabicyclo[2.2.2]octane, 3-[4-(1H-indol-4-yl)phenoxy]-
CAS Number:
855291-04-2
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
4-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-1H-indole
InChI:
InChI=1S/C21H22N2O/c1-2-18(19-8-11-22-20(19)3-1)15-4-6-17(7-5-15)24-21-14-23-12-9-16(21)10-13-23/h1-8,11,16,21-22H,9-10,12-14H2
InChI Key:
NLYRWVYFBQLDNN-UHFFFAOYSA-N
SMILES:
c1cc(c2ccc(cc2)OC2CN3CCC2CC3)c2c(c1)[nH]cc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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