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Home > Indoles and Oxindole > 824960-73-8

824960-73-8

824960-73-8 | Methanone, (2-methoxy-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-

CAS No: 824960-73-8 Catalog No: AG004US1 MDL No:

Product Description

Catalog Number:
AG004US1
Chemical Name:
Methanone, (2-methoxy-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS Number:
824960-73-8
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
(2-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
InChI:
InChI=1S/C23H21NO2/c1-3-14-24-15-19(18-10-6-7-11-20(18)24)23(25)22-17-9-5-4-8-16(17)12-13-21(22)26-2/h4-13,15H,3,14H2,1-2H3
InChI Key:
RTGIZGGGWCYGAL-UHFFFAOYSA-N
SMILES:
CCCn1cc(c2c1cccc2)C(=O)c1c(OC)ccc2c1cccc2

Properties

Complexity:
493  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.157g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.426g/mol
Monoisotopic Mass:
343.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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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