Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccc(C(C)C(O)(c3ccc(=O)n(CC)c3)C(F)(F)F)c(Cl)c2)ccc1F- InChIKey
IBGLSTLEQITSDL-UHFFFAOYSA-N- Molecular formula
- C26H24ClF4NO4
- Average molar mass
- 525.9 g/mol
- Monoisotopic mass
- 525.1329986
Names & identifiers
- Preferred name
- 3'-Chloro-4'-[2-(1-ethyl-6-oxo-1,6-dihydro-pyridin-3-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-4-fluoro-biphenyl-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-[3-chloro-4-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]phenyl]-2-fluorobenzoate
Names & synonyms
3'-Chloro-4'-[2-(1-ethyl-6-oxo-1,6-dihydro-pyridin-3-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-4-fluoro-biphenyl-3-carboxylic acid ethyl esterSCHEMBL480897
Database identifiers
- PubChem CID
- 66699474
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 878
Related reactions
1 records
Compound notes
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