Basic information
- Standard SMILES
CCSC(c1ccccc1)C(NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)O- InChIKey
NXJHJDJSSLNBNP-UHFFFAOYSA-N- Molecular formula
- C23H22FNO4S2
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- 3-Ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid
- IUPAC
- 3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid
Names & synonyms
SCHEMBL7420895
Database identifiers
- PubChem CID
- 23433397
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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