Basic information
- Standard SMILES
COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c(Cl)c2)cc1Cl- InChIKey
LWICGVGOXNIHLX-UHFFFAOYSA-N- Molecular formula
- C24H20Cl2F3NO5
- Average molar mass
- 530.3 g/mol
- Monoisotopic mass
- 529.0670626
Names & identifiers
- Preferred name
- 2-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzoic acid methyl ester
- IUPAC
- methyl 2-chloro-4-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(1-methyl-6-oxo-3-pyridinyl)butan-2-yl]phenoxy]benzoate
Names & synonyms
2-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzoic acid methyl esterSCHEMBL480093
Database identifiers
- PubChem CID
- 66699159
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 867
Related reactions
1 records
Compound notes
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