Basic information
- Standard SMILES
CN(C)C[C@@H](CC(=O)OCc1ccccc1)NC(=O)CCCCCCCOCc1ccc(F)cc1F- InChIKey
YVVSCHXVTYCDQP-RUZDIDTESA-N- Molecular formula
- C28H38F2N2O4
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.27996402
Names & identifiers
- Preferred name
- (R)-3-[8-(2,4-difluoro-benzyloxy)-octanoylamino]4-dimethylamino-butyric acid benzyl ester
- IUPAC
- benzyl (3R)-3-[8-[(2,4-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate
Names & synonyms
SCHEMBL1005993YVVSCHXVTYCDQP-RUZDIDTESA-N(R)-3-[8-(2,4-difluoro-benzyloxy)-octanoylamino]-4-dimethylamino-butyric acid benzyl ester(R)-3-[8-(2,4-difluoro-benzyloxy)-octanoylamino]4-dimethylamino-butyric acid benzyl ester
Database identifiers
- PubChem CID
- 66874288
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 616
Related reactions
3 records
Compound notes
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