Basic information
- Standard SMILES
O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1nsc2ccccc12- InChIKey
BVKLJQKPEWBBEW-UHFFFAOYSA-N- Molecular formula
- C23H25N5OS2
- Average molar mass
- 451.6 g/mol
Names & identifiers
- Preferred name
- Benzo[d]isothiazole-3-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
- IUPAC
- N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide
Names & synonyms
CHEMBL305866SCHEMBL9035939BDBM50036900Benzo[d]isothiazole-3-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
Database identifiers
- PubChem CID
- 3073070
- ChEMBL
CHEMBL305866- Nikkaji
- J607.537A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 603
Related reactions
1 records
Compound notes
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