Compound C25H27BrClN3O

[N'-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide

CAS: 69415-44-7

Molecular Formula	`C25H27BrClN3O`
Molecular Weight	500.9 g/mol
Topological Polar Surface Area	50.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	499.1026
Heavy Atoms	31
Complexity	516.0

Chemical Identifiers

CAS Number	69415-44-7
SMILES	`CC1=CC=C(C=C1)NC(=NCCC2=CC=C(C=C2)Cl)[NH2+]C3=CC=C(C=C3)OCC=C.[Br-]`
InChIKey	`ZDFUMENTYGNSCS-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H27BrClN3O (CAS: 69415-44-7) is a chemical compound with molecular formula C25H27BrClN3O and molecular weight 500.9 g/mol. Its IUPAC systematic name is [N'-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)carbamimidoyl]-(4-prop-2-enoxyphenyl)azanium bromide. Topological Polar Surface Area 50.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 10 Exact Mass 499.1026 Heavy Atoms 31 Complexity 516.0 InChI Key: ZDFUMENTYGNSCS-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)NC(=NCCC2=CC=C(C=C2)Cl)[NH2+]C3=CC=C(C=C3)OCC=C.[Br-].

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