Basic information
- Standard SMILES
CCOC(=O)C1CCN(CCOc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3Cl)cc2Cl)CC1- InChIKey
BDEDBRLXJDUMGQ-UHFFFAOYSA-N- Molecular formula
- C25H27Cl2F3N2O5
- Average molar mass
- 563.4 g/mol
- Monoisotopic mass
- 562.1249118
Names & identifiers
- Preferred name
- Ethyl 1-(2-{2-chloro-4-[2-(2-chloro-4-trifluoromethyl-phenoxy)-acetylamino]-phenoxy}-ethyl)-piperidine4-carboxylate
- IUPAC
- ethyl 1-[2-[2-chloro-4-[[2-[2-chloro-4-(trifluoromethyl)phenoxy]acetyl]amino]phenoxy]ethyl]piperidine-4-carboxylate
Names & synonyms
ethyl 1-(2-{2-chloro-4-[2-(2-chloro-4-trifluoromethyl-phenoxy)-acetylamino]-phenoxy}-ethyl)-piperidine4-carboxylateSCHEMBL4011462
Database identifiers
- PubChem CID
- 9985339
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 740
Related reactions
2 records
Compound notes
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