(E)-8-(3,4-Dimethoxystyryl)-7-ethyl-1,3-dipropylxanthine
Basic information
- CAS
155814-24-7- Standard SMILES
CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2CC)n(CCC)c1=O- InChIKey
PCKDDPFGQJUUHX-ZRDIBKRKSA-N- Molecular formula
- C23H30N4O4
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.22670545
Names & identifiers
- Preferred name
- (E)-8-(3,4-Dimethoxystyryl)-7-ethyl-1,3-dipropylxanthine
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-ethyl-1,3-dipropylpurine-2,6-dione
Names & synonyms
(E)-8-(3,4-Dimethoxystyryl)-7-ethyl-1,3-dipropylxanthine155814-24-7RefChem:10509191H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-ethyl-, (E)-SCHEMBL7722494
Database identifiers
- CAS
155814-24-7- PubChem CID
- 6448969
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
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Compound notes
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