Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(-n2c(C)nc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1- InChIKey
LACQMWQVGGLFEH-UHFFFAOYSA-N- Molecular formula
- C21H17ClF2N2O4
- Average molar mass
- 434.8 g/mol
- Monoisotopic mass
- 434.084491
Names & identifiers
- Preferred name
- 3-[5-chloro-4-(2,4-difluoro-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid methyl ester
- IUPAC
- methyl 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylbenzoate
Names & synonyms
SCHEMBL3522142LACQMWQVGGLFEH-UHFFFAOYSA-N3-[5-chloro-4-(2,4-difluoro-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 21090198
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 745
Related reactions
2 records
Compound notes
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