Basic information
- Standard SMILES
COC(=O)c1ccc(C(Cc2ccc(OC(F)(F)C(=O)OC(C)(C)C)cc2)(Cc2ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc2)C(=O)c2ccc(F)cc2)cc1- InChIKey
KWWYKTWMIPYBQT-UHFFFAOYSA-N- Molecular formula
- C45H50F5O9P
- Average molar mass
- 860.8 g/mol
- Monoisotopic mass
- 860.31126098
Names & identifiers
- Preferred name
- Methyl 4-[1-{4-[2-(tert-butoxy)-1,1-difluoro-2-oxoethoxy]benzyl}-1-{4-[[di(tert-butoxy)phosphoryl](difluoro)methyl]benzyl}-2-(4-fluorophenyl)-2-oxoethyl]benzoate
- IUPAC
- methyl 4-[2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-3-[4-[1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-1-oxopropan-2-yl]benzoate
Names & synonyms
methyl 4-[1-{4-[2-(tert-butoxy)-1,1-difluoro-2-oxoethoxy]benzyl}-1-{4-[[di(tert-butoxy)phosphoryl](difluoro)methyl]benzyl}-2-(4-fluorophenyl)-2-oxoethyl]benzoateSCHEMBL7164802
Database identifiers
- PubChem CID
- 18510258
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 20
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,470
Related reactions
3 records
Compound notes
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