Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCn2c1cc(OCc1ccc(Oc3ccc(C#N)c(F)c3)c(C#N)c1)nc2=O- InChIKey
LIUVDDMQLKSODA-UHFFFAOYSA-N- Molecular formula
- C26H22FN5O5
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 7-((3-cyano-4-(4-cyano-3-fluorophenoxy)benzyl)oxy)-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate
- IUPAC
- tert-butyl 7-[[3-cyano-4-(4-cyano-3-fluorophenoxy)phenyl]methoxy]-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate
Names & synonyms
SCHEMBL14663721LIUVDDMQLKSODA-UHFFFAOYSA-Ntert-butyl 7-((3-cyano-4-(4-cyano-3-fluorophenoxy)benzyl)oxy)-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate
Database identifiers
- PubChem CID
- 71241044
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
3 records
Compound notes
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