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Home > Indoles and Oxindole > 824960-98-7
824960-98-7 | Methanone, (4-ethoxy-1-naphthalenyl)(2-methyl-1-pentyl-1H-indol-3-yl)-
CAS No: 824960-98-7 Catalog No: AG004URZ MDL No:
Product Description
Catalog Number:
AG004URZ
Chemical Name:
Methanone, (4-ethoxy-1-naphthalenyl)(2-methyl-1-pentyl-1H-indol-3-yl)-
CAS Number:
824960-98-7
Molecular Formula:
C27H29NO2
Molecular Weight:
399.5247
IUPAC Name:
(4-ethoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
InChI:
InChI=1S/C27H29NO2/c1-4-6-11-18-28-19(3)26(23-14-9-10-15-24(23)28)27(29)22-16-17-25(30-5-2)21-13-8-7-12-20(21)22/h7-10,12-17H,4-6,11,18H2,1-3H3
InChI Key:
SNCKIADQCHVLDK-UHFFFAOYSA-N
SMILES:
CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)OCC
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.22g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.534g/mol
Monoisotopic Mass:
399.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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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