Basic information
- Standard SMILES
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nsc3ccccc23)CC1- InChIKey
GQFQXSPUGWJZLR-UHFFFAOYSA-N- Molecular formula
- C22H25N3O4S2
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- (4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
- IUPAC
- [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
Names & synonyms
SCHEMBL1379966GQFQXSPUGWJZLR-UHFFFAOYSA-N(4-Benzo [d]isothiazol-3-yl-piperazin-1-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl) -methanone(4-Benzo [d]isothiazol-3-yl-piperazin-1-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
Database identifiers
- PubChem CID
- 11655523
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 734
Related reactions
3 records
Compound notes
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