Basic information
- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1C(F)(F)F- InChIKey
CLMAUDDCZNZYHB-UHFFFAOYSA-N- Molecular formula
- C14H10BrF3N4O2
- Average molar mass
- 403.15 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-3-methyl-7-(2-trifluoromethylbenzyl)-3,7-dihydropurine-2,6-dione
- IUPAC
- 8-bromo-3-methyl-7-[[2-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
Names & synonyms
8-Bromo-3-methyl-7-(2-trifluoromethylbenzyl)-3,7-dihydropurine-2,6-dioneSCHEMBL4668580
Database identifiers
- PubChem CID
- 22508649
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
5 records
Compound notes
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