Basic information
- Standard SMILES
CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1COC(=O)Nc1ccc(F)cc1F- InChIKey
SGPKOWADIFYEBM-UHFFFAOYSA-N- Molecular formula
- C22H23F2NO7
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.1442584
Names & identifiers
- Preferred name
- Dimethyl 2-[3-({[(2,4-difluoroanilino)carbonyl]-oxy}methyl)-4-ethoxybenzyl]malonate
- IUPAC
- dimethyl 2-[[3-[(2,4-difluorophenyl)carbamoyloxymethyl]-4-ethoxyphenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810420SGPKOWADIFYEBM-UHFFFAOYSA-NDimethyl 2-[3-({[(2,4-difluoroanilino)carbonyl]-oxy}methyl)-4-ethoxybenzyl]malonate
Database identifiers
- PubChem CID
- 57719929
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Related reactions
2 records
Compound notes
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