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Basic information
- Standard SMILES
CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(COC)cc(-c3ccc(S(C)(=O)=O)cc3)c2)c1CCC(=O)OCC- InChIKey
SLOWNWLWYVRVBC-UHFFFAOYSA-N- Molecular formula
- C38H50O9S
- Average molar mass
- 682.9 g/mol
- Monoisotopic mass
- 682.31755434
Names & identifiers
- Preferred name
- 4-{2-(2-Ethoxycarbonyl-ethyl)-3-[6-(4'-methanesulfonyl-5-methoxymethyl-biphenyl-3-yloxy)-hexyl]-phenoxy}-butyric acid ethyl ester
- IUPAC
- ethyl 4-[2-(3-ethoxy-3-oxopropyl)-3-[6-[3-(methoxymethyl)-5-(4-methylsulfonylphenyl)phenoxy]hexyl]phenoxy]butanoate
Names & synonyms
SCHEMBL200207SLOWNWLWYVRVBC-UHFFFAOYSA-N4-{2-(2-ethoxycarbonyl-ethyl)-3-[6-(4'-methanesulfonyl-5-methoxymethyl-biphenyl-3-yloxy)-hexyl]-phenoxy}-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 59496830
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
3 records
Compound notes
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