Basic information
- Standard SMILES
Cc1ccc(SCC(O)(CC(C)(C)c2cc(Cl)cc3c2OCC3)C(F)(F)F)cc1- InChIKey
CLRHSTYIBSHKLL-UHFFFAOYSA-N- Molecular formula
- C22H24ClF3O2S
- Average molar mass
- 444.9 g/mol
Names & identifiers
- Preferred name
- 4-(5-Chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol
- IUPAC
- 4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol
Names & synonyms
SCHEMBL5370067
Database identifiers
- PubChem CID
- 69419563
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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