Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2CCc3cc(F)cc(-c4ccccc4-c4ccccc4)c3O2)cc1- InChIKey
BFTNXPURHRBRSZ-XMMPIXPASA-N- Molecular formula
- C29H25FO4S
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- ((2R)-8-(biphenyl-2-yl)-6-fluorochroman-2-yl)methyl 4-methylbenzenesulfonate
- IUPAC
- [(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL4621402BFTNXPURHRBRSZ-XMMPIXPASA-N((2R)-8-(biphenyl-2-yl)-6-fluorochroman-2-yl)methyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86609155
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 768
Related reactions
2 records
Compound notes
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