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Home > Indoles and Oxindole > 824960-04-5
824960-04-5 | Methanone, (4-butyl-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS No: 824960-04-5 Catalog No: AG004ZGJ MDL No:
Product Description
Catalog Number:
AG004ZGJ
Chemical Name:
Methanone, (4-butyl-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS Number:
824960-04-5
Molecular Formula:
C26H27NO
Molecular Weight:
369.4987
IUPAC Name:
(4-butylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone
InChI:
InChI=1S/C26H27NO/c1-3-5-10-19-15-16-23(21-12-7-6-11-20(19)21)26(28)24-18-27(17-4-2)25-14-9-8-13-22(24)25/h6-9,11-16,18H,3-5,10,17H2,1-2H3
InChI Key:
XHIXPRIGTFMZHJ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CCC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.508g/mol
Monoisotopic Mass:
369.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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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