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Home > Indoles and Oxindole > 824960-96-5
824960-96-5 | Methanone, (4-ethoxy-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS No: 824960-96-5 Catalog No: AG004US0 MDL No:
Product Description
Catalog Number:
AG004US0
Chemical Name:
Methanone, (4-ethoxy-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS Number:
824960-96-5
Molecular Formula:
C25H25NO2
Molecular Weight:
371.4715
IUPAC Name:
(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
InChI:
InChI=1S/C25H25NO2/c1-4-16-26-17(3)24(21-12-8-9-13-22(21)26)25(27)20-14-15-23(28-5-2)19-11-7-6-10-18(19)20/h6-15H,4-5,16H2,1-3H3
InChI Key:
UOQYTDWXUDZRMX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c2c1cccc2)C(=O)c1c2ccccc2n(c1C)CCC
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.48g/mol
Monoisotopic Mass:
371.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Development of CoMFA and CoMSIA models of affinity and selectivity for indole ligands of cannabinoid CB1 and CB2 receptors. | European journal of medicinal chemistry 20090601 |
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