Basic information
- Standard SMILES
CCn1cc(Cc2cnc(OC)nc2)c(=O)nc1SCc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
RMKSDQXMDKNCJJ-UHFFFAOYSA-N- Molecular formula
- C25H23FN4O3S
- Average molar mass
- 478.5 g/mol
Names & identifiers
- Preferred name
- 1-ethyl-2-[({4-[(4-fluorophenyl)oxy]phenyl}methyl)thio]-5-{[2-(methyloxy)-5-pyrimidinyl]methyl}-4(1H)-pyrimidinone
- IUPAC
- 1-ethyl-2-[[4-(4-fluorophenoxy)phenyl]methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one
Names & synonyms
SCHEMBL9108043RMKSDQXMDKNCJJ-UHFFFAOYSA-N1-ethyl-2-[({4-[(4-fluorophenyl)oxy]phenyl}methyl)thio]-5-{[2-(methyloxy)-5-pyrimidinyl]methyl}-4(1H)-pyrimidinone
Database identifiers
- PubChem CID
- 67775888
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 728
Related reactions
1 records
Compound notes
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