Basic information
- Standard SMILES
Cl.O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1- InChIKey
HTOVTWSKCMLILO-UHFFFAOYSA-N- Molecular formula
- C19H23Cl2N5O3S
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 471.0898662
Names & identifiers
- Preferred name
- 2-[4-[4-(6-Chloro-2-pyrazinyl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, hydrochloride
- IUPAC
- 2-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
Names & synonyms
CHEMBL554036HTOVTWSKCMLILO-UHFFFAOYSA-N2-[4-[4-(6-Chloro-2-pyrazinyl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, hydrochloride
Database identifiers
- PubChem CID
- 45259229
- ChEMBL
CHEMBL554036
Properties
Computed structural properties
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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