Basic information
- Standard SMILES
CCc1c(Oc2cc(C)cc(C)c2)n(CC2=CC(CO)C(CO)C2)c(=O)[nH]c1=O- InChIKey
DOLWVUVHLVFBPS-UHFFFAOYSA-N- Molecular formula
- C22H28N2O5
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- 1-{[3,4-Di(hydroxymethyl)cyclopent-1-en-1-yl]methyl}-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
- IUPAC
- 1-[[3,4-bis(hydroxymethyl)cyclopenten-1-yl]methyl]-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL7070942DOLWVUVHLVFBPS-UHFFFAOYSA-N1-{[3,4-Di(hydroxymethyl)cyclopent-1-en-1-yl]methyl}-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
Database identifiers
- PubChem CID
- 53770786
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 691
Related reactions
1 records
Compound notes
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