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Home > Indoles and Oxindole > 824960-71-6
824960-71-6 | Methanone, (7-ethyl-1-naphthalenyl)(2-methyl-1-pentyl-1H-indol-3-yl)-
CAS No: 824960-71-6 Catalog No: AG00581Z MDL No:
Product Description
Catalog Number:
AG00581Z
Chemical Name:
Methanone, (7-ethyl-1-naphthalenyl)(2-methyl-1-pentyl-1H-indol-3-yl)-
CAS Number:
824960-71-6
Molecular Formula:
C27H29NO
Molecular Weight:
383.5253
IUPAC Name:
(7-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
InChI:
InChI=1S/C27H29NO/c1-4-6-9-17-28-19(3)26(23-12-7-8-14-25(23)28)27(29)22-13-10-11-21-16-15-20(5-2)18-24(21)22/h7-8,10-16,18H,4-6,9,17H2,1-3H3
InChI Key:
RSOILAHMESIUAE-UHFFFAOYSA-N
SMILES:
CCCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cc(CC)cc2
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.225g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.535g/mol
Monoisotopic Mass:
383.225g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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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