Basic information
- Standard SMILES
COC(=O)c1cc2cc(SCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc2o1- InChIKey
CMUYXANVPLISQK-UHFFFAOYSA-N- Molecular formula
- C22H16F3NO3S2
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- 5-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl]-benzofuran-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1-benzofuran-2-carboxylate
Names & synonyms
5-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl]-benzofuran-2-carboxylic acid methyl esterSCHEMBL5858223
Database identifiers
- PubChem CID
- 20766006
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 630
Related reactions
4 records
Compound notes
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