Basic information
- Standard SMILES
Cc1ccc([S@](=O)C[C@](O)(CC(C)(C)c2cc(Br)cc3c2OCC3)C(F)(F)F)cc1- InChIKey
YXOFVCSWDGQBKH-IIMAJNMQSA-N- Molecular formula
- C22H24BrF3O3S
- Average molar mass
- 505.4 g/mol
Names & identifiers
- Preferred name
- (S)-4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-((R)-toluene-4-sulfinylmethyl)pentan-2-ol
- IUPAC
- (2S)-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]pentan-2-ol
Names & synonyms
(S)-4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-((R)-toluene-4-sulfinylmethyl)pentan-2-olSCHEMBL5360216
Database identifiers
- PubChem CID
- 69416652
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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