Basic information
- Standard SMILES
CC(C)(C)c1ccc(-c2ccc(C=C3SC(=S)N(C4CCCC(C(=O)O)C4)C3=O)o2)cc1- InChIKey
NFNOGDDUUNACBW-UHFFFAOYSA-N- Molecular formula
- C25H27NO4S2
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- 3-{5-[1-[5-(4-Tert-butyl-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-cyclohexanecarboxylic acid
- IUPAC
- 3-[5-[[5-(4-tert-butylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL3043038NFNOGDDUUNACBW-UHFFFAOYSA-N3-{5-[1-[5-(4-tert-butyl-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 86644293
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 781
Related reactions
2 records
Compound notes
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