Basic information
- Standard SMILES
CCc1cn(C)c(OCCc2ccc(Oc3ccc(Cl)c(C)c3)cc2)nc1=O- InChIKey
SUJWDOUDISDTPI-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O3
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.1397203
Names & identifiers
- Preferred name
- 2-[(2-{4-[(4-chloro-3-methylphenyl)oxy]phenyl}ethyl)oxy]-5-ethyl-1-methyl-4(1H)-pyrimidinone
- IUPAC
- 2-[2-[4-(4-chloro-3-methylphenoxy)phenyl]ethoxy]-5-ethyl-1-methylpyrimidin-4-one
Names & synonyms
SCHEMBL9107505SUJWDOUDISDTPI-UHFFFAOYSA-N2-[(2-{4-[(4-chloro-3-methylphenyl)oxy]phenyl}ethyl)oxy]-5-ethyl-1-methyl-4(1H)-pyrimidinone
Database identifiers
- PubChem CID
- 67775644
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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