3'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl-3-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)c1cccc(-c2cccc(CSCCOc3ccccc3)c2)c1- InChIKey
ADQSBQBMLPUVDD-UHFFFAOYSA-N- Molecular formula
- C24H24O3S
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 3'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[3-(2-phenoxyethylsulfanylmethyl)phenyl]benzoate
Names & synonyms
SCHEMBL5863076ADQSBQBMLPUVDD-UHFFFAOYSA-N3'-(2-Phenoxy-ethylsulfanylmethyl)-biphenyl-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58610596
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 449
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Related reactions
2 records
Compound notes
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