Basic information
- Standard SMILES
COC(=O)CCCNCCN(CCC(=O)O)c1ccc(OC(F)(F)F)c(Cl)c1- InChIKey
YIVHGBNHMBVVRS-UHFFFAOYSA-N- Molecular formula
- C17H22ClF3N2O5
- Average molar mass
- 426.8 g/mol
Names & identifiers
- Preferred name
- 3-[3-chloro-N-[2-[(4-methoxy-4-oxobutyl)amino]ethyl]-4-(trifluoromethoxy)anilino]propanoic acid
- IUPAC
- 3-[3-chloro-N-[2-[(4-methoxy-4-oxobutyl)amino]ethyl]-4-(trifluoromethoxy)anilino]propanoic acid
Names & synonyms
SCHEMBL1554849
Database identifiers
- PubChem CID
- 67074009
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 496
Related reactions
1 records
Compound notes
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