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Home > Indoles and Oxindole > 821786-90-7
821786-90-7 | 1H-Indole, 3-[1-[2-(3-benzofuranyl)ethyl]-1,2,3,6-tetrahydro-4-pyridinyl]-
CAS No: 821786-90-7 Catalog No: AG00578I MDL No:
Product Description
Catalog Number:
AG00578I
Chemical Name:
1H-Indole, 3-[1-[2-(3-benzofuranyl)ethyl]-1,2,3,6-tetrahydro-4-pyridinyl]-
CAS Number:
821786-90-7
Molecular Formula:
C23H22N2O
Molecular Weight:
342.4336
IUPAC Name:
3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
InChI:
InChI=1S/C23H22N2O/c1-3-7-22-20(6-1)21(15-24-22)17-9-12-25(13-10-17)14-11-18-16-26-23-8-4-2-5-19(18)23/h1-9,15-16,24H,10-14H2
InChI Key:
XADLWMQBIFTFBT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)occ2CCN1CCC(=CC1)c1c[nH]c2c1cccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.442g/mol
Monoisotopic Mass:
342.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Novel benzofuran derivatives with dual 5-HT1A receptor and serotonin transporter affinity. | Bioorganic & medicinal chemistry letters 20100201 |
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