Basic information
- Standard SMILES
CC(=O)NCCn1c(=N)sc2cc(OC(F)(F)F)ccc21- InChIKey
IDMDTBVGQJUECE-UHFFFAOYSA-N- Molecular formula
- C12H12F3N3O2S
- Average molar mass
- 319.3 g/mol
Names & identifiers
- Preferred name
- 3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazoline
- IUPAC
- N-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl]acetamide
Names & synonyms
3-(2-Acetamidoethyl)-2-imino-6-trifluoromethoxybenzothiazolineSCHEMBL9780382
Database identifiers
- PubChem CID
- 3076411
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
2 records
Compound notes
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