[4-(5-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
Basic information
- Standard SMILES
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nc3cc(Cl)ccc3s2)CC1- InChIKey
UIDMJDHKEKLEIM-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3O4S2
- Average molar mass
- 494 g/mol
Names & identifiers
- Preferred name
- [4-(5-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
- IUPAC
- [4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
Names & synonyms
SCHEMBL1378682UIDMJDHKEKLEIM-UHFFFAOYSA-N[4-(5-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl) -methanone[4-(5-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
Database identifiers
- PubChem CID
- 11627357
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 770
Related reactions
3 records
Compound notes
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