Basic information
- Standard SMILES
Cc1ccc(Oc2cccc(C(C#N)OC(=O)C(Nc3ccc(C(F)(F)F)cc3Cl)C(C)C)n2)cc1- InChIKey
YWGOJLYRGJHSJZ-UHFFFAOYSA-N- Molecular formula
- C26H23ClF3N3O3
- Average molar mass
- 517.9 g/mol
- Monoisotopic mass
- 517.1380038
Names & identifiers
- Preferred name
- Cyano[6-(4-methylphenoxy)-2-pyridyl]methyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate
- IUPAC
- [cyano-[6-(4-methylphenoxy)-2-pyridinyl]methyl] 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
Names & synonyms
cyano[6-(4-methylphenoxy)-2-pyridyl]methyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoateSCHEMBL11463973
Database identifiers
- PubChem CID
- 54530615
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 767
Related reactions
1 records
Compound notes
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