Basic information
- Standard SMILES
Cc1ccccc1N1CCN(CCn2c(=N)sc3cc(OC(F)(F)F)ccc32)CC1- InChIKey
VPYBAEWYJJSZFN-UHFFFAOYSA-N- Molecular formula
- C21H23F3N4OS
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.15446703
Names & identifiers
- Preferred name
- 2-Imino-3-{2-[4-(2-methylphenyl)-1-piperazinyl]ethyl}-6-trifluoromethoxybenzothiazoline
- IUPAC
- 3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Names & synonyms
2-Imino-3-{2-[4-(2-methylphenyl)-1-piperazinyl]ethyl}-6-trifluoromethoxybenzothiazoline
Database identifiers
- PubChem CID
- 15734867
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Related reactions
1 records
Compound notes
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