Basic information
- Standard SMILES
CCOC(=O)c1cc(Oc2ccc(Cl)c(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c2)ccc1Cl- InChIKey
CPGXLGWXNMEIOD-UHFFFAOYSA-N- Molecular formula
- C25H22Cl2F3NO5
- Average molar mass
- 544.3 g/mol
- Monoisotopic mass
- 543.0827127
Names & identifiers
- Preferred name
- 2-Chloro-5-{4-chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzoic acid ethyl ester
- IUPAC
- ethyl 2-chloro-5-[4-chloro-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methyl-6-oxo-3-pyridinyl)butan-2-yl]phenoxy]benzoate
Names & synonyms
2-Chloro-5-{4-chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzoic acid ethyl esterSCHEMBL480366
Database identifiers
- PubChem CID
- 66699243
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 882
Related reactions
1 records
Compound notes
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