Compound C20H24BrClN4O

2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride

CAS: 3966-84-5

Molecular Formula	`C20H24BrClN4O`
Molecular Weight	451.8 g/mol
Topological Polar Surface Area	50.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	450.0822
Heavy Atoms	27
Complexity	508.0

Chemical Identifiers

CAS Number	3966-84-5
SMILES	`CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-]`
InChIKey	`QMVLLFAJJBZQCE-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H24BrClN4O (CAS: 3966-84-5) is a chemical compound with molecular formula C20H24BrClN4O and molecular weight 451.8 g/mol. Its IUPAC systematic name is 2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride. Topological Polar Surface Area 50.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 450.0822 Heavy Atoms 27 Complexity 508.0 InChI Key: QMVLLFAJJBZQCE-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-].

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