Compound C22H30Cl2FN3O3S2

9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride

CAS: 85195-85-3

Molecular Formula	`C22H30Cl2FN3O3S2`
Molecular Weight	538.5 g/mol
Topological Polar Surface Area	97.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	537.10895
Heavy Atoms	33
Complexity	697.0

Chemical Identifiers

CAS Number	85195-85-3
SMILES	`CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F.Cl.Cl`
InChIKey	`ZCYQHPCYZKJAFM-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H30Cl2FN3O3S2 (CAS: 85195-85-3) is a chemical compound with molecular formula C22H30Cl2FN3O3S2 and molecular weight 538.5 g/mol. Its IUPAC systematic name is 9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride. Topological Polar Surface Area 97.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 537.10895 Heavy Atoms 33 Complexity 697.0 InChI Key: ZCYQHPCYZKJAFM-UHFFFAOYSA-N. SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F.Cl.Cl.

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