Basic information
- CAS
501350-34-1- Standard SMILES
CCCCOc1ccccc1C=C1SC(=O)N(CN2CCN(c3ccc(C)cc3)CC2)C1=O- InChIKey
HUCDNOSNZILXCJ-UHFFFAOYSA-N- Molecular formula
- C26H31N3O3S
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 465.20861303
Names & identifiers
- Preferred name
- 5-[(2-Butoxyphenyl)methylidene]-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[(2-butoxyphenyl)methylidene]-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazolidine-2,4-dione
- English name
- 5-(2-butoxybenzylidene)-3-{[4-(4-methylphenyl)-1-piperazinyl]methyl}-1,3-thiazolidine-2,4-dione
- Molecular formula
- C26H31N3O3S
- Molecular weight
- 465.61
Names & synonyms
5-(2-butoxybenzylidene)-3-{[4-(4-methylphenyl)-1-piperazinyl]methyl}-1,3-thiazolidine-2,4-dione2,4-Thiazolidinedione, 5-[(2-butoxyphenyl)methylene]-3-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-
Database identifiers
- CAS
501350-34-1- PubChem CID
- 5066923
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- Boiling point
- 623.7 · 623.7±65.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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