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Home > Indoles and Oxindole > 824959-87-7
824959-87-7 | Methanone, (1-propyl-1H-indol-3-yl)(4-propyl-1-naphthalenyl)-
CAS No: 824959-87-7 Catalog No: AG00502H MDL No:
Product Description
Catalog Number:
AG00502H
Chemical Name:
Methanone, (1-propyl-1H-indol-3-yl)(4-propyl-1-naphthalenyl)-
CAS Number:
824959-87-7
Molecular Formula:
C25H25NO
Molecular Weight:
355.4721
IUPAC Name:
(1-propylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
InChI:
InChI=1S/C25H25NO/c1-3-9-18-14-15-22(20-11-6-5-10-19(18)20)25(27)23-17-26(16-4-2)24-13-8-7-12-21(23)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChI Key:
BMOMWXXAVVSIRU-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CCC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.481g/mol
Monoisotopic Mass:
355.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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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