Basic information
- Standard SMILES
NC(=O)c1cc(-c2ccc(OCc3ccccc3SC(F)(F)F)cc2)no1- InChIKey
OYVHSKWWSGSAIR-UHFFFAOYSA-N- Molecular formula
- C18H13F3N2O3S
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.05989794
Names & identifiers
- Preferred name
- 3-[4-(2-Trifluoromethylsulfanyl-benzyloxy)-phenyl]-isoxazole-5-carboxylic acid amide
- IUPAC
- 3-[4-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]phenyl]-1,2-oxazole-5-carboxamide
Names & synonyms
3-[4-(2-trifluoromethylsulfanyl-benzyloxy)-phenyl]-isoxazole-5-carboxylic acid amideSCHEMBL15774382
Database identifiers
- PubChem CID
- 76284100
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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