Basic information
- Standard SMILES
CN(C)CC(CC(=O)OCc1ccccc1)NC(=O)CCCCCCCOCc1ccc(F)c(F)c1F- InChIKey
KEKLLKJOOYXIIB-UHFFFAOYSA-N- Molecular formula
- C28H37F3N2O4
- Average molar mass
- 522.6 g/mol
Names & identifiers
- Preferred name
- Benzyl 4-(dimethylamino)-3-[8-[(2,3,4-trifluorophenyl)methoxy]octanoylamino]butanoate
- IUPAC
- benzyl 4-(dimethylamino)-3-[8-[(2,3,4-trifluorophenyl)methoxy]octanoylamino]butanoate
Names & synonyms
SCHEMBL1009934
Database identifiers
- PubChem CID
- 66875596
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 649
Related reactions
1 records
Compound notes
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