CAS 864445-37-4 | Ethanone, 1-(1-pentyl-1H-indol-3-yl)-2-phenyl- | CAS Number 864445-37-4

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864445-37-4 | Ethanone, 1-(1-pentyl-1H-indol-3-yl)-2-phenyl-

CAS No: 864445-37-4 Catalog No: AG01DOPR MDL No:MFCD26743542

Product Description

Catalog Number:

AG01DOPR

Chemical Name:

Ethanone, 1-(1-pentyl-1H-indol-3-yl)-2-phenyl-

CAS Number:

864445-37-4

Molecular Formula:

C21H23NO

Molecular Weight:

305.4134

MDL Number:

MFCD26743542

IUPAC Name:

1-(1-pentylindol-3-yl)-2-phenylethanone

InChI:

InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3

InChI Key:

AMCPOEOUXQWESI-UHFFFAOYSA-N

SMILES:

CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1

UNII:

LQX1W3537N

Properties

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.421g/mol

Monoisotopic Mass:

305.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

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
1-Pentyl-3-phenylacetylindoles, a new class of cannabimimetic indoles.	Bioorganic & medicinal chemistry letters 20050915