Basic information
- Standard SMILES
CC1CCCN1C1CC(c2nc3ccc(Br)cc3s2)C1- InChIKey
ABXPYCIUPKSNPM-UHFFFAOYSA-N- Molecular formula
- C16H19BrN2S
- Average molar mass
- 351.3 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole
- IUPAC
- 6-bromo-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole
Names & synonyms
SCHEMBL4892106
Database identifiers
- PubChem CID
- 69231312
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
12 records
Linked notes
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