Basic information
- Standard SMILES
CCSC(c1ccccc1)C(NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)OC- InChIKey
VIIFQQKLRPKEMQ-UHFFFAOYSA-N- Molecular formula
- C24H24FNO4S2
- Average molar mass
- 473.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenylpropanoate
- IUPAC
- methyl 3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenylpropanoate
Names & synonyms
SCHEMBL7384080
Database identifiers
- PubChem CID
- 70073650
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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