Basic information
- Standard SMILES
O=C(CCS(=O)(=O)CCOCCc1ccccc1)NCCc1ccc(O)c2[nH]c(=O)sc12- InChIKey
WCDDOTQYJKLFQG-UHFFFAOYSA-N- Molecular formula
- C22H26N2O6S2
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.1232289
Names & identifiers
- Preferred name
- N-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-3-[2-[2-phenylethoxy]ethylsulphonyl]propanamide
- IUPAC
- N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-3-[2-(2-phenylethoxy)ethylsulfonyl]propanamide
Names & synonyms
SCHEMBL8531752WCDDOTQYJKLFQG-UHFFFAOYSA-NN-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-3-[2-[2-phenylethoxy]-ethylsulphonyl]propanamideN-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-3-[2-[2-phenylethoxy]ethylsulphonyl]propanamide
Database identifiers
- PubChem CID
- 19082162
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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