Basic information
- Standard SMILES
COc1ccc(N2CCN(CCn3c(=N)sc4cc(OC(F)(F)F)ccc43)CC2)cc1.Cl.Cl.Cl- InChIKey
NLQVYZWZDHRRGQ-UHFFFAOYSA-N- Molecular formula
- C21H26Cl3F3N4O2S
- Average molar mass
- 561.9 g/mol
- Monoisotopic mass
- 560.079415
Names & identifiers
- Preferred name
- 2-Imino-3-{2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl}-6-trifluoromethoxybenzothiazoline trihydrochloride
- IUPAC
- 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;trihydrochloride
Names & synonyms
2-Imino-3-{2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl}-6-trifluoromethoxybenzothiazoline trihydrochloride
Database identifiers
- PubChem CID
- 19784264
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 610
Related reactions
1 records
Compound notes
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