Basic information
- Standard SMILES
Br.c1ccc2c(C3CCN(CC4CC4)CC3)nsc2c1- InChIKey
OHDGGYKBGMTTEX-UHFFFAOYSA-N- Molecular formula
- C16H21BrN2S
- Average molar mass
- 353.3 g/mol
Names & identifiers
- Preferred name
- 3-{1-(Cyclopropylmethyl)-4-piperidinyl}-1,2-benzisothiazole hydrobromide
- IUPAC
- 3-[1-(cyclopropylmethyl)piperidin-4-yl]-1,2-benzothiazole;hydrobromide
Names & synonyms
SCHEMBL10365633OHDGGYKBGMTTEX-UHFFFAOYSA-N3-{1-(cyclopropylmethyl)-4-piperidinyl}-1,2-benzisothiazole hydrobromide
Database identifiers
- PubChem CID
- 20255754
Properties
Computed structural properties
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
2 records
Compound notes
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