Basic information
- Standard SMILES
Fc1ccc(COc2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)cc1F- InChIKey
VQFANXUNBIXZEG-UHFFFAOYSA-N- Molecular formula
- C23H13Cl3F2N2O
- Average molar mass
- 477.7 g/mol
- Monoisotopic mass
- 476.006152
Names & identifiers
- Preferred name
- 2-(3,4-Difluorobenzyloxy)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyrimidine
- IUPAC
- 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine
Names & synonyms
SCHEMBL4807959VQFANXUNBIXZEG-UHFFFAOYSA-N2-(3,4-difluorobenzyloxy)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)pyrimidine
Database identifiers
- PubChem CID
- 10322804
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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