8-((3,5-difluoro-4-(4-fluorophenoxy)benzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=c1nc(OCc2cc(F)c(Oc3ccc(F)cc3)c(F)c2)cc2n1CCCN2- InChIKey
LCFPHEYVANEVCI-UHFFFAOYSA-N- Molecular formula
- C20H16F3N3O3
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.11437587
Names & identifiers
- Preferred name
- 8-((3,5-difluoro-4-(4-fluorophenoxy)benzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
- IUPAC
- 8-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methoxy]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-6-one
Names & synonyms
SCHEMBL14656243LCFPHEYVANEVCI-UHFFFAOYSA-N8-((3,5-difluoro-4-(4-fluorophenoxy)benzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one8-((3,5-difluoro-4-(4-fluorophenoxyl)benzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
Database identifiers
- PubChem CID
- 71236652
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 655
Related reactions
1 records
Compound notes
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