Basic information
- Standard SMILES
COc1ncc(Cc2cn(C)c(SCc3ccc(Oc4ccc(F)cc4)cc3)nc2=O)cn1- InChIKey
CLTYQCQCBRNXBT-UHFFFAOYSA-N- Molecular formula
- C24H21FN4O3S
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 2-[({4-[(4-fluorophenyl)oxy]phenyl}methyl)thio]-1-methyl-5-{[2-(methyloxy)-5-pyrimidinyl]methyl}-4(1H)-pyrimidinone
- IUPAC
- 2-[[4-(4-fluorophenoxy)phenyl]methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1-methylpyrimidin-4-one
Names & synonyms
SCHEMBL9106811CLTYQCQCBRNXBT-UHFFFAOYSA-N2-[({4-[(4-fluorophenyl)oxy]phenyl}methyl)thio]-1-methyl-5-{[2-(methyloxy)-5-pyrimidinyl]methyl}-4(1H)-pyrimidinone
Database identifiers
- PubChem CID
- 67775274
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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