1-[4-(6-Bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
Basic information
- CAS
897472-96-7- Standard SMILES
CC(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1- InChIKey
DSUPHJJYBYSYKO-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3OS
- Average molar mass
- 340.24 g/mol
- Monoisotopic mass
- 339.0041
Names & identifiers
- Preferred name
- 1-[4-(6-Bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
- IUPAC
- 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
Names & synonyms
897472-96-71-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-one1-(4-(6-bromobenzo[d]thiazol-2-yl)piperazin-1-yl)ethanoneMLS001167484F2609-0883CHEMBL1307285DTXSID501320670HMS2958B09AKOS024663442SMR000641583
Database identifiers
- CAS
897472-96-7- PubChem CID
- 7539166
- DTXSID
DTXSID501320670- ChEMBL
CHEMBL1307285
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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