Basic information
- Standard SMILES
O=C(c1nsc2cc(Br)ccc12)N1CCN2CCC1CC2- InChIKey
DDAPYINAKKHJLC-UHFFFAOYSA-N- Molecular formula
- C15H16BrN3OS
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.01975
Names & identifiers
- Preferred name
- 6-Bromo-3-(1,4-diazabicyclo[3.2.2]non-4-ylcarbonyl)-1,2-benzisothiazole
- IUPAC
- (6-bromo-1,2-benzothiazol-3-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
Names & synonyms
SCHEMBL1572751DDAPYINAKKHJLC-UHFFFAOYSA-N6-bromo-3-(1,4-diazabicyclo[3.2.2]non-4-ylcarbonyl)-1,2-benzisothiazole
Database identifiers
- PubChem CID
- 11575159
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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