Basic information
- Standard SMILES
CC(C)CCCCNC(=O)n1sc2ccccc2c1=O- InChIKey
BLFRASOHADEREL-UHFFFAOYSA-N- Molecular formula
- C15H20N2O2S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.12454906
Names & identifiers
- Preferred name
- 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid (5-methyl-hexyl)-amide
- IUPAC
- N-(5-methylhexyl)-3-oxo-1,2-benzothiazole-2-carboxamide
Names & synonyms
SCHEMBL13686270BLFRASOHADEREL-UHFFFAOYSA-N3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid (5-methyl-hexyl)-amide
Database identifiers
- PubChem CID
- 11243310
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
1 records
Compound notes
Loading…