Basic information
- Standard SMILES
O=C1C=CC2C(S(=O)(=O)c3ccccc3)CC1(c1ccc(F)cc1)N2Cc1ccccc1- InChIKey
OYLMCUNIPLQNNU-UHFFFAOYSA-N- Molecular formula
- C26H22FNO3S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 6-(Benzenesulfonyl)-8-benzyl-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
- IUPAC
- 6-(benzenesulfonyl)-8-benzyl-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
Names & synonyms
SCHEMBL6771723
Database identifiers
- PubChem CID
- 69891745
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 817
Related reactions
1 records
Compound notes
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