Basic information
- Standard SMILES
COCCn1c(=O)c2c(ncn2Cc2ccccc2)n(C2CC2)c1=O- InChIKey
YBVAMEQNNIJXEI-UHFFFAOYSA-N- Molecular formula
- C18H20N4O3
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 7-Benzyl-3-cyclopropyl-1-(2-methoxyethyl)xanthine
- IUPAC
- 7-benzyl-3-cyclopropyl-1-(2-methoxyethyl)purine-2,6-dione
Names & synonyms
SCHEMBL7608314YBVAMEQNNIJXEI-UHFFFAOYSA-N7-Benzyl-3-cyclopropyl-1-(2-methoxyethyl)xanthine
Database identifiers
- PubChem CID
- 22007306
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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