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Home > Indoles and Oxindole > 824960-63-6
824960-63-6 | Methanone, (7-ethyl-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS No: 824960-63-6 Catalog No: AG004ZGE MDL No:
Product Description
Catalog Number:
AG004ZGE
Chemical Name:
Methanone, (7-ethyl-1-naphthalenyl)(2-methyl-1-propyl-1H-indol-3-yl)-
CAS Number:
824960-63-6
Molecular Formula:
C25H25NO
Molecular Weight:
355.4721
IUPAC Name:
(7-ethylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
InChI:
InChI=1S/C25H25NO/c1-4-15-26-17(3)24(21-10-6-7-12-23(21)26)25(27)20-11-8-9-19-14-13-18(5-2)16-22(19)20/h6-14,16H,4-5,15H2,1-3H3
InChI Key:
LDVRETBVOKFPCD-UHFFFAOYSA-N
SMILES:
CCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cc(CC)cc2
UNII:
B0E6QL6VLS
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.481g/mol
Monoisotopic Mass:
355.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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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