1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-N-methyl-, monohydrochloride
Basic information
- CAS
145759-35-9- Standard SMILES
CN(CCCCN1CCN(c2nsc3ccccc23)CC1)C(=O)c1nsc2ccccc12.Cl- InChIKey
WNAFMWHWJPQLLL-UHFFFAOYSA-N- Molecular formula
- C24H28ClN5OS2
- Average molar mass
- 502.1 g/mol
- Monoisotopic mass
- 501.1423806
Names & identifiers
- Preferred name
- 1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-N-methyl-, monohydrochloride
- IUPAC
- N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide;hydrochloride
Names & synonyms
1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-N-methyl-, monohydrochloride145759-35-9DTXSID90163153RefChem:215602DTXCID2085644SCHEMBL9037389N-{4-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]butyl}-N-methyl-1,2-benzothiazole-3-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
145759-35-9- PubChem CID
- 3073071
- DTXSID
DTXSID90163153
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 632
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Related reactions
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Compound notes
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