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Basic information
- Standard SMILES
COc1ccc(Br)c(Cc2nc(O)c(OCc3ccccc3)c(C(=O)OC(C)(C)C)n2)c1- InChIKey
IQRKQWMOFMZOGL-UHFFFAOYSA-N- Molecular formula
- C24H25BrN2O5
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.09468
Names & identifiers
- IUPAC
- tert-butyl 2-[(2-bromo-5-methoxyphenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyrimidine-6-carboxylate
Database identifiers
- PubChem CID
- 86725871
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
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