Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4ccsc4C(O)CCCc4ccccc4)cc3)cc2)CC1- InChIKey
MELVFEFJEBBNLO-UHFFFAOYSA-N- Molecular formula
- C32H32O3S
- Average molar mass
- 496.7 g/mol
Names & identifiers
- Preferred name
- 1-{4'-[2-(1-Hydroxy-4-phenyl-butyl)-thiophen-3-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[2-(1-hydroxy-4-phenylbutyl)thiophen-3-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL9900915MELVFEFJEBBNLO-UHFFFAOYSA-N1-{4'-[2-(1-Hydroxy-4-phenyl-butyl)-thiophen-3-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67958418
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 684
Related reactions
1 records
Compound notes
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