Basic information
- Standard SMILES
CCCN(CCSc1ccc(OCC(=O)OCC)c(CC)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C- InChIKey
HKLPXZCDRZRLHU-UHFFFAOYSA-N- Molecular formula
- C26H32ClNO5S3
- Average molar mass
- 570.2 g/mol
- Monoisotopic mass
- 569.1131143
Names & identifiers
- Preferred name
- Ethyl 2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-ethylphenoxy]acetate
- IUPAC
- ethyl 2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-ethylphenoxy]acetate
Names & synonyms
SCHEMBL3680418
Database identifiers
- PubChem CID
- 58713183
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 795
Related reactions
2 records
Compound notes
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