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Home > Indoles and Oxindole > 824960-07-8
824960-07-8 | Methanone, (4-butyl-1-naphthalenyl)(2-methyl-1-pentyl-1H-indol-3-yl)-
CAS No: 824960-07-8 Catalog No: AG004ZGG MDL No:
Product Description
Catalog Number:
AG004ZGG
Chemical Name:
Methanone, (4-butyl-1-naphthalenyl)(2-methyl-1-pentyl-1H-indol-3-yl)-
CAS Number:
824960-07-8
Molecular Formula:
C29H33NO
Molecular Weight:
411.5784
IUPAC Name:
(4-butylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
InChI:
InChI=1S/C29H33NO/c1-4-6-12-20-30-21(3)28(26-16-10-11-17-27(26)30)29(31)25-19-18-22(13-7-5-2)23-14-8-9-15-24(23)25/h8-11,14-19H,4-7,12-13,20H2,1-3H3
InChI Key:
MZJYEWXYEBBSAL-UHFFFAOYSA-N
SMILES:
CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CCCC
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.256g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.589g/mol
Monoisotopic Mass:
411.256g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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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