Basic information
- Standard SMILES
O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccc(Cl)cc1- InChIKey
DNPDGMHDFUSHBH-UHFFFAOYSA-N- Molecular formula
- C24H18ClFN2O2
- Average molar mass
- 420.9 g/mol
Names & identifiers
- Preferred name
- 3-(4-chlorobenzyl)-5-(4-(benzyloxy)-3-fluorophenyl)pyrimidin-4(3H)-one
- IUPAC
- 3-[(4-chlorophenyl)methyl]-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
Names & synonyms
SCHEMBL3105830DNPDGMHDFUSHBH-UHFFFAOYSA-N3-(4-chlorobenzyl)-5-(4-(benzyloxy)-3-fluorophenyl)pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 68513874
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Related reactions
4 records
Compound notes
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