Basic information
- Standard SMILES
O=C(CS(=O)(=O)CCCOCCc1ccc(F)cc1)NCCc1ccc(O)c2[nH]c(=O)sc12- InChIKey
MKTBOPJECNLUCG-UHFFFAOYSA-N- Molecular formula
- C22H25FN2O6S2
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- N-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-2-[3-[2-[4-fluorophenyl]ethoxy]propylsulphonyl]acetamide
- IUPAC
- 2-[3-[2-(4-fluorophenyl)ethoxy]propylsulfonyl]-N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]acetamide
Names & synonyms
SCHEMBL8532728MKTBOPJECNLUCG-UHFFFAOYSA-NN-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-2-[3-[2-[4-fluorophenyl]ethoxy]propylsulphonyl]acetamide
Database identifiers
- PubChem CID
- 19082282
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 754
Related reactions
1 records
Compound notes
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