Basic information
- Standard SMILES
CCCn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1- InChIKey
DSVPAIWNYDOVPR-UHFFFAOYSA-N- Molecular formula
- C15H16N4O2
- Average molar mass
- 284.31 g/mol
Names & identifiers
- Preferred name
- 7-Benzyl-3-propylxanthine
- IUPAC
- 7-benzyl-3-propylpurine-2,6-dione
Names & synonyms
7-Benzyl-3-propylxanthineSCHEMBL7607643DSVPAIWNYDOVPR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22007302
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
6 records
Compound notes
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