Basic information
- Standard SMILES
CCOC(=O)c1ccc(COc2ccc(C(C)C(O)(c3ccnc(C)c3)C(F)(F)F)c(Cl)c2)cc1- InChIKey
RVMQJTVLAFPYCR-UHFFFAOYSA-N- Molecular formula
- C26H25ClF3NO4
- Average molar mass
- 507.9 g/mol
Names & identifiers
- Preferred name
- 4-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenoxymethyl}-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(2-methyl-4-pyridinyl)butan-2-yl]phenoxy]methyl]benzoate
Names & synonyms
4-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenoxymethyl}-benzoic acid ethyl esterSCHEMBL479933
Database identifiers
- PubChem CID
- 46940643
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 688
Related reactions
4 records
Compound notes
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