Basic information
- Standard SMILES
Cc1ccc(SC[C@](O)(CC(C)(C)c2cc(Br)cc3c2OCC3)C(F)(F)F)cc1- InChIKey
IUOUZFCRWJWTRO-OAQYLSRUSA-N- Molecular formula
- C22H24BrF3O2S
- Average molar mass
- 489.4 g/mol
Names & identifiers
- Preferred name
- (S)-4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-p-tolylsulfanylmethylpentan-2-ol
- IUPAC
- (2S)-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol
Names & synonyms
(S)-4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-p-tolylsulfanylmethylpentan-2-olSCHEMBL5355170(S)-4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-p-tolylsulfanylmethyl-pentan-2-ol
Database identifiers
- PubChem CID
- 69415185
Properties
Computed structural properties
- XLogP
- 7
- 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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