Basic information
- Standard SMILES
CSc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(C(N)=O)ccc1C- InChIKey
OYPIQAKXOQALDB-UHFFFAOYSA-N- Molecular formula
- C20H16ClF2N3O3S
- Average molar mass
- 451.9 g/mol
Names & identifiers
- Preferred name
- 3-[5-chloro-4-[(2,4-difluorobenzyl)oxy]-2-(methylthio)-6-oxopyrimidin-1(6H)-yl]-4-methylbenzamide
- IUPAC
- 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-6-oxopyrimidin-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL3527202OYPIQAKXOQALDB-UHFFFAOYSA-N3-[5-chloro-4-[(2,4-difluorobenzyl)oxy]-2-(methylthio)-6-oxopyrimidin-1(6H)-yl]-4-methylbenzamide
Database identifiers
- PubChem CID
- 21089005
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 751
Related reactions
3 records
Compound notes
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