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Home > Indoles and Oxindole > 824960-95-4
824960-95-4 | Methanone, (4-ethoxy-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS No: 824960-95-4 Catalog No: AG00581Y MDL No:
Product Description
Catalog Number:
AG00581Y
Chemical Name:
Methanone, (4-ethoxy-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS Number:
824960-95-4
Molecular Formula:
C24H23NO2
Molecular Weight:
357.4449
IUPAC Name:
(4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
InChI:
InChI=1S/C24H23NO2/c1-3-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-4-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3
InChI Key:
NCEVWPRTUYLBGV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CCC
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.453g/mol
Monoisotopic Mass:
357.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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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