Basic information
- Standard SMILES
CCOC(=O)COc1ccc(SCC=C(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1C(F)(F)F- InChIKey
SFHYVRVVNKTEEE-UHFFFAOYSA-N- Molecular formula
- C36H29F3N2O3S
- Average molar mass
- 626.7 g/mol
Names & identifiers
- Preferred name
- {4-[3,3-Bis-(4-pyridin-3-yl-phenyl)-allylsulfanyl]-2-trifluoromethyl-phenoxy}-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-[3,3-bis(4-pyridin-3-ylphenyl)prop-2-enylsulfanyl]-2-(trifluoromethyl)phenoxy]acetate
Names & synonyms
{4-[3,3-bis-(4-pyridin-3-yl-phenyl)-allylsulfanyl]-2-trifluoromethyl-phenoxy}-acetic acid ethyl esterSCHEMBL5959522
Database identifiers
- PubChem CID
- 69620630
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 893
Related reactions
4 records
Compound notes
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