Basic information
- Standard SMILES
CC(=O)OC[C@@H](Cn1c(=O)c(Br)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1- InChIKey
RGHYGPGRZKVSFI-QGZVFWFLSA-N- Molecular formula
- C23H21BrF2N2O4
- Average molar mass
- 507.3 g/mol
- Monoisotopic mass
- 506.06528
Names & identifiers
- Preferred name
- 5-bromo-1-[2, 6-difluorobenzyl]-3-{3-acetoxy-2(R)-phenylpropyl}-6-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- [(2R)-3-[5-bromo-3-[(2,6-difluorophenyl)methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-2-phenylpropyl] acetate
Names & synonyms
SCHEMBL2703684RGHYGPGRZKVSFI-QGZVFWFLSA-N5-bromo-1-[2, 6-difluorobenzyl]-3-{3-acetoxy-2(R)-phenylpropyl}-6-methylpyrimidine-2,4(1H,3H)-dione5-bromo-1-[2,6-difluorobenzyl]-3-{3-acetoxy-2(R)-phenylpropyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 21018399
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 746
Related reactions
4 records
Compound notes
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