Basic information
- Standard SMILES
CCOC(=O)C=C(C)c1cc2c(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)(F)F)cccc2s1- InChIKey
JHQVTUBWMSNXHH-UHFFFAOYSA-N- Molecular formula
- C28H31F3O3S
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[4-[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophen-2-yl]but-2-enoate
- IUPAC
- ethyl 3-[4-[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophen-2-yl]but-2-enoate
Names & synonyms
SCHEMBL4857896JHQVTUBWMSNXHH-UHFFFAOYSA-Nethyl 3-[4-[3,5-di(propan-2-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophen-2-yl]but-2-enoate
Database identifiers
- PubChem CID
- 69219573
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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