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Home > Indoles and Oxindole > 210179-40-1
210179-40-1 | Methanone, (4-methoxy-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS No: 210179-40-1 Catalog No: AG002KM9 MDL No:
Product Description
Catalog Number:
AG002KM9
Chemical Name:
Methanone, (4-methoxy-1-naphthalenyl)(1-propyl-1H-indol-3-yl)-
CAS Number:
210179-40-1
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
IUPAC Name:
(4-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
InChI:
InChI=1S/C23H21NO2/c1-3-14-24-15-20(17-9-6-7-11-21(17)24)23(25)19-12-13-22(26-2)18-10-5-4-8-16(18)19/h4-13,15H,3,14H2,1-2H3
InChI Key:
SKDUHKSZHNFWML-UHFFFAOYSA-N
SMILES:
CCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)OC
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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