Basic information
- Standard SMILES
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1- InChIKey
PRPNWTAQPVIIEC-LSCGWGKXSA-N- Molecular formula
- C29H39F2N3O7
- Average molar mass
- 579.6 g/mol
Names & identifiers
- Preferred name
- Dodecyl-2-((1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)carbamoyl)benzoate
- IUPAC
- dodecyl 2-[[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyl]benzoate
Names & synonyms
Dodecyl-2-((1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)carbamoyl)benzoateSCHEMBL699384
Database identifiers
- PubChem CID
- 60201196
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 945
Related reactions
1 records
Compound notes
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