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Home > Indoles and Oxindole > 824955-99-9
824955-99-9 | Methanone, (4-methyl-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS No: 824955-99-9 Catalog No: AG00504B MDL No:
Product Description
Catalog Number:
AG00504B
Chemical Name:
Methanone, (4-methyl-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS Number:
824955-99-9
Molecular Formula:
C24H23NO
Molecular Weight:
341.4455
IUPAC Name:
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
InChI:
InChI=1S/C24H23NO/c1-4-15-25-17(3)23(21-11-7-8-12-22(21)25)24(26)20-14-13-16(2)18-9-5-6-10-19(18)20/h5-14H,4,15H2,1-3H3
InChI Key:
WRIOMNWYCFMMEY-UHFFFAOYSA-N
SMILES:
CCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.454g/mol
Monoisotopic Mass:
341.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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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