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Home > Indoles and Oxindole > 824960-05-6
824960-05-6 | Methanone, (4-butyl-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS No: 824960-05-6 Catalog No: AG004ZGI MDL No:
Product Description
Catalog Number:
AG004ZGI
Chemical Name:
Methanone, (4-butyl-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS Number:
824960-05-6
Molecular Formula:
C27H29NO
Molecular Weight:
383.5253
IUPAC Name:
(4-butylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
InChI:
InChI=1S/C27H29NO/c1-4-6-11-20-16-17-23(22-13-8-7-12-21(20)22)27(29)26-19(3)28(18-5-2)25-15-10-9-14-24(25)26/h7-10,12-17H,4-6,11,18H2,1-3H3
InChI Key:
NKIYNRUHLLPQDP-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c2c1cccc2)C(=O)c1c(C)n(c2c1cccc2)CCC
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:
7.7
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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