Basic information
- Standard SMILES
COC(=O)c1cc(C(F)(F)F)ccc1SCC=C(c1ccccc1)c1ccccc1- InChIKey
PUPRFPDCKIJLMX-UHFFFAOYSA-N- Molecular formula
- C24H19F3O2S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.1057855
Names & identifiers
- Preferred name
- Methyl 2-(3,3-diphenylprop-2-enylthio)-5-trifluoromethylbenzoate
- IUPAC
- methyl 2-(3,3-diphenylprop-2-enylsulfanyl)-5-(trifluoromethyl)benzoate
Names & synonyms
Methyl 2-(3,3-diphenylprop-2-enylthio)-5-trifluoromethylbenzoateSCHEMBL10743702
Database identifiers
- PubChem CID
- 20205035
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 557
Related reactions
2 records
Compound notes
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