Compound C22H25Cl2FN4O

7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one;hydrochloride

CAS: 1057-13-2

Molecular Formula	`C22H25Cl2FN4O`
Molecular Weight	451.4 g/mol
Topological Polar Surface Area	47.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	450.13895
Heavy Atoms	30
Complexity	597.0

Chemical Identifiers

CAS Number	1057-13-2
SMILES	`C1CN(CCN1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.Cl`
InChIKey	`BLCXTJIOJVGBHB-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H25Cl2FN4O (CAS: 1057-13-2) is a chemical compound with molecular formula C22H25Cl2FN4O and molecular weight 451.4 g/mol. Its IUPAC systematic name is 7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one;hydrochloride. Topological Polar Surface Area 47.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 450.13895 Heavy Atoms 30 Complexity 597.0 InChI Key: BLCXTJIOJVGBHB-UHFFFAOYSA-N. SMILES: C1CN(CCN1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.Cl.

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