Compound C19H23BrCl2N4O

3-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-4-ium-1-yl)propyl-dimethylazanium dichloride

CAS: 4466-96-0

Molecular Formula	`C19H23BrCl2N4O`
Molecular Weight	474.2 g/mol
Topological Polar Surface Area	51.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	472.04324
Heavy Atoms	27
Complexity	496.0

Chemical Identifiers

CAS Number	4466-96-0
SMILES	`C[NH+](C)CCCN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-].[Cl-]`
InChIKey	`GPMIKQCOOHXHDK-UHFFFAOYSA-N`

📖 Product Overview

Compound C19H23BrCl2N4O (CAS: 4466-96-0) is a chemical compound with molecular formula C19H23BrCl2N4O and molecular weight 474.2 g/mol. Its IUPAC systematic name is 3-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-4-ium-1-yl)propyl-dimethylazanium dichloride. Topological Polar Surface Area 51.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 472.04324 Heavy Atoms 27 Complexity 496.0 InChI Key: GPMIKQCOOHXHDK-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-].[Cl-].

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