Basic information
- Standard SMILES
O=C(NCCc1ccc(O)c2[nH]c(=O)sc12)C(F)(F)CCCCOCCc1ccccc1- InChIKey
HYYWQKSYOXESKT-UHFFFAOYSA-N- Molecular formula
- C23H26F2N2O4S
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.15813481
Names & identifiers
- Preferred name
- 2,2-Difluoro-N-[2-[4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-6-[2-phenylethoxy]hexanamide
- IUPAC
- 2,2-difluoro-N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-6-(2-phenylethoxy)hexanamide
Names & synonyms
SCHEMBL8880397HYYWQKSYOXESKT-UHFFFAOYSA-N2,2-Difluoro-N-[2-[4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-6-[2-phenylethoxy]hexanamide
Database identifiers
- PubChem CID
- 19082199
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Related reactions
2 records
Compound notes
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