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Home > Indoles and Oxindole > 89647-73-4
89647-73-4 | 2-(5-ethyl-1-azabicyclo[2.2.2]oct-2-yl)-3-(2-hydroxyethyl)-2,3-dihydro-1h-indol-3-ol
CAS No: 89647-73-4 Catalog No: AG003VJS MDL No:
Product Description
Catalog Number:
AG003VJS
Chemical Name:
2-(5-ethyl-1-azabicyclo[2.2.2]oct-2-yl)-3-(2-hydroxyethyl)-2,3-dihydro-1h-indol-3-ol
CAS Number:
89647-73-4
Molecular Formula:
C19H28N2O2
Molecular Weight:
316.4378
IUPAC Name:
2-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-3-(2-hydroxyethyl)-1,2-dihydroindol-3-ol
InChI:
InChI=1S/C19H28N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)18-19(23,8-10-22)15-5-3-4-6-16(15)20-18/h3-6,13-14,17-18,20,22-23H,2,7-12H2,1H3
InChI Key:
NMNDNLVDXNHHOF-UHFFFAOYSA-N
SMILES:
OCCC1(O)C(Nc2c1cccc2)C1CC2CCN1CC2CC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.215g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.445g/mol
Monoisotopic Mass:
316.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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