Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(OC(c2ccccc2)c2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1C- InChIKey
IDFPWBMGJKEMDG-UHFFFAOYSA-N- Molecular formula
- C31H29F3O4S
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-methyl-2-[2-methyl-4-(phenyl{5-[4-(trifluoromethyl)phenyl]thien-3-yl}methoxy)phenoxy]propanoate
- IUPAC
- ethyl 2-methyl-2-[2-methyl-4-[phenyl-[5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methoxy]phenoxy]propanoate
Names & synonyms
ethyl 2-methyl-2-[2-methyl-4-(phenyl{5-[4-(trifluoromethyl)phenyl]thien-3-yl}methoxy)phenoxy]propanoateSCHEMBL5861831
Database identifiers
- PubChem CID
- 21986485
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 776
Related reactions
2 records
Compound notes
Loading…