Basic information
- Standard SMILES
Cc1nc(-c2ccccc2C(F)(F)F)nc2nc(-c3cc(C(C)(C)C)nn3C)[nH]c12.O=C(O)C(F)(F)F- InChIKey
SFZIFFMKWGFCLZ-UHFFFAOYSA-N- Molecular formula
- C23H22F6N6O2
- Average molar mass
- 528.4 g/mol
Names & identifiers
- Preferred name
- 8-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-6-methyl-2-(2-trifluoromethyl-phenyl)-7H-purine trifluoroacetic acid salt
- IUPAC
- 8-(3-tert-butyl-1-methylpyrazol-5-yl)-6-methyl-2-[2-(trifluoromethyl)phenyl]-7H-purine;2,2,2-trifluoroacetic acid
Names & synonyms
8-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-6-methyl-2-(2-trifluoromethyl-phenyl)-7H-purine trifluoroacetic acid saltSCHEMBL2445032
Database identifiers
- PubChem CID
- 136337447
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 692
Related reactions
3 records
Compound notes
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