Compound C26H39BrCl2N4

2-[(5-bromo-3-phenylindol-1-yl)-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride

CAS: 57647-52-6

Molecular Formula	`C26H39BrCl2N4`
Molecular Weight	558.4 g/mol
Topological Polar Surface Area	17.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	12
Exact Mass	556.1735
Heavy Atoms	33
Complexity	474.0

Chemical Identifiers

CAS Number	57647-52-6
SMILES	`CC[NH+](CC)CCN(CC[NH+](CC)CC)N1C=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3.[Cl-].[Cl-]`
InChIKey	`NUBUTVBIUMRBSF-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H39BrCl2N4 (CAS: 57647-52-6) is a chemical compound with molecular formula C26H39BrCl2N4 and molecular weight 558.4 g/mol. Its IUPAC systematic name is 2-[(5-bromo-3-phenylindol-1-yl)-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride. Topological Polar Surface Area 17.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 12 Exact Mass 556.1735 Heavy Atoms 33 Complexity 474.0 InChI Key: NUBUTVBIUMRBSF-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCN(CC[NH+](CC)CC)N1C=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3.[Cl-].[Cl-].

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