Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CCN(c3nsc4ccccc34)CC2)c1- InChIKey
IPNUSUNLJDRYAI-UHFFFAOYSA-N- Molecular formula
- C23H25N3O4S2
- Average molar mass
- 471.6 g/mol
Names & identifiers
- Preferred name
- (4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone
- IUPAC
- [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]methanone
Names & synonyms
SCHEMBL1378012IPNUSUNLJDRYAI-UHFFFAOYSA-N(4-Benzo [d]isothiazol-3-yl-piperazin-1-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl) -methanone(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone
Database identifiers
- PubChem CID
- 11569037
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 777
Related reactions
3 records
Compound notes
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