Basic information
- Standard SMILES
CCCCCCCCOc1ccc(-c2cnc(-c3ccc(OCc4ccccc4)c(F)c3F)nc2)cn1- InChIKey
DBNJIXOENZIXRH-UHFFFAOYSA-N- Molecular formula
- C30H31F2N3O2
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.23843356
Names & identifiers
- Preferred name
- 2-(4-Benzyloxy-2,3-difluorophenyl)-5-(6-octyloxypyridin-3-yl)pyrimidine
- IUPAC
- 2-(2,3-difluoro-4-phenylmethoxyphenyl)-5-(6-octoxy-3-pyridinyl)pyrimidine
Names & synonyms
SCHEMBL7878062DBNJIXOENZIXRH-UHFFFAOYSA-N2-(4-benzyloxy-2,3-difluorophenyl)-5-(6-octyloxypyridin-3-yl)pyrimidine
Database identifiers
- PubChem CID
- 17869401
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
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