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Home > Indoles and Oxindole > 824961-61-7
824961-61-7 | (7-Methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
CAS No: 824961-61-7 Catalog No: AG004URU MDL No:
Product Description
Catalog Number:
AG004URU
Chemical Name:
(7-Methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
CAS Number:
824961-61-7
Molecular Formula:
C25H25NO2
Molecular Weight:
371.4715
IUPAC Name:
(7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
InChI:
InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(20-10-5-6-12-24(20)26)25(27)21-11-8-9-18-13-14-19(28-2)16-22(18)21/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChI Key:
IJNSZBAEVYRFCH-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cc(OC)cc2
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.48g/mol
Monoisotopic Mass:
371.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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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