Compound C21H28Cl3N3O2

2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride

CAS: 90619-38-8

Molecular Formula	`C21H28Cl3N3O2`
Molecular Weight	460.8 g/mol
Topological Polar Surface Area	43.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	459.1247
Heavy Atoms	29
Complexity	562.0

Chemical Identifiers

CAS Number	90619-38-8
SMILES	`C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4Cl.Cl.Cl`
InChIKey	`RODLNYLAAUDFGW-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H28Cl3N3O2 (CAS: 90619-38-8) is a chemical compound with molecular formula C21H28Cl3N3O2 and molecular weight 460.8 g/mol. Its IUPAC systematic name is 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride. Topological Polar Surface Area 43.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 459.1247 Heavy Atoms 29 Complexity 562.0 InChI Key: RODLNYLAAUDFGW-UHFFFAOYSA-N. SMILES: C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4Cl.Cl.Cl.

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