Basic information
- Standard SMILES
Cc1ccc(C(=O)O)cc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Cl)c1=O- InChIKey
RRCCHEVZWYOCJC-UHFFFAOYSA-N- Molecular formula
- C20H15ClF2N2O4
- Average molar mass
- 420.8 g/mol
Names & identifiers
- Preferred name
- 3-(5-chloro-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-4-methylbenzoic acid
- IUPAC
- 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylbenzoic acid
Names & synonyms
3-(5-chloro-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-4-methylbenzoic acid3-[5-chloro-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-4-methylbenzoic acidSCHEMBL3520717RRCCHEVZWYOCJC-UHFFFAOYSA-N3-[5-chloro-4-(2,4-difluoro-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid
Database identifiers
- PubChem CID
- 21089296
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 729
Related reactions
7 records
Compound notes
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