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Home > Indoles and Oxindole > 824960-97-6
824960-97-6 | Methanone, (4-ethoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CAS No: 824960-97-6 Catalog No: AG00581X MDL No:
Product Description
Catalog Number:
AG00581X
Chemical Name:
Methanone, (4-ethoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CAS Number:
824960-97-6
Molecular Formula:
C26H27NO2
Molecular Weight:
385.4981
IUPAC Name:
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
InChI:
InChI=1S/C26H27NO2/c1-3-5-10-17-27-18-23(20-12-8-9-14-24(20)27)26(28)22-15-16-25(29-4-2)21-13-7-6-11-19(21)22/h6-9,11-16,18H,3-5,10,17H2,1-2H3
InChI Key:
XBWLJRIQVBWALY-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)OCC
UNII:
86F7HL1T40
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.204g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.507g/mol
Monoisotopic Mass:
385.204g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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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