Basic information
- Standard SMILES
CCCn1c(C(F)(F)F)nc2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O- InChIKey
LKSPJOPMWGPPJX-UHFFFAOYSA-N- Molecular formula
- C20H16F6N6O
- Average molar mass
- 470.4 g/mol
Names & identifiers
- Preferred name
- 1-Propyl-2-trifluoromethyl-8-[1-(3-trifluoromethyl-benzyl)-1h-pyrazol-4-yl]-1,7-dihydro-purin-6-one
- IUPAC
- 1-propyl-2-(trifluoromethyl)-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purin-6-one
Names & synonyms
1-propyl-2-trifluoromethyl-8-[1-(3-trifluoromethyl-benzyl)-1h-pyrazol-4-yl]-1,7-dihydro-purin-6-oneSCHEMBL1724500
Database identifiers
- PubChem CID
- 87282924
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 758
Related reactions
2 records
Compound notes
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