Basic information
- Standard SMILES
CCCCCn1c(=O)n(CCCc2cnn(Cc3c(F)cccc3Cl)c2)c(=O)c2[nH]c(Cl)nc21- InChIKey
QBGKAZMXKZJNBO-UHFFFAOYSA-N- Molecular formula
- C23H25Cl2FN6O2
- Average molar mass
- 507.4 g/mol
- Monoisotopic mass
- 506.1400076
Names & identifiers
- Preferred name
- 8-Chloro-1-(3-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-yl}propyl)-3-pentyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-chloro-1-[3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]propyl]-3-pentyl-7H-purine-2,6-dione
Names & synonyms
SCHEMBL835326QBGKAZMXKZJNBO-UHFFFAOYSA-N8-Chloro-1-(3-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-yl}propyl)-3-pentyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- PubChem CID
- 15945849
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 721
Related reactions
1 records
Compound notes
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