Compound C20H25Cl3FN3O

3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylazanium dichloride

CAS: 4084-16-6

Molecular Formula	`C20H25Cl3FN3O`
Molecular Weight	448.8 g/mol
Topological Polar Surface Area	41.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	447.10474
Heavy Atoms	28
Complexity	478.0

Chemical Identifiers

CAS Number	4084-16-6
SMILES	`C[NH+](C)CCCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]`
InChIKey	`VQCCXQMATDFPMG-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H25Cl3FN3O (CAS: 4084-16-6) is a chemical compound with molecular formula C20H25Cl3FN3O and molecular weight 448.8 g/mol. Its IUPAC systematic name is 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylazanium dichloride. Topological Polar Surface Area 41.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 447.10474 Heavy Atoms 28 Complexity 478.0 InChI Key: VQCCXQMATDFPMG-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-].

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