Basic information
- Standard SMILES
O=C(O)C1CCCC(N2C(=O)C(=Cc3ccc(-c4ccc(C5CCCCC5)cc4)o3)SC2=S)C1- InChIKey
RGUKOAYXTOYEIN-UHFFFAOYSA-N- Molecular formula
- C27H29NO4S2
- Average molar mass
- 495.7 g/mol
Names & identifiers
- Preferred name
- 3-{5-[1-[5-(4-Cyclohexyl-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-cyclohexanecarboxylic acid
- IUPAC
- 3-[5-[[5-(4-cyclohexylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL3033283RGUKOAYXTOYEIN-UHFFFAOYSA-N3-{5-[1-[5-(4-cyclohexyl-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 86644294
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 815
Related reactions
2 records
Compound notes
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