2,4-Thiazolidinedione, 5-(3,4,5-trimethoxybenzyl)-
Basic information
- CAS
79525-03-4- Standard SMILES
COc1cc(CC2SC(=O)NC2=O)cc(OC)c1OC- InChIKey
SZGBTYLKWOEKNT-UHFFFAOYSA-N- Molecular formula
- C13H15NO5S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.06709375
Names & identifiers
- Preferred name
- 2,4-Thiazolidinedione, 5-(3,4,5-trimethoxybenzyl)-
- IUPAC
- 5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Names & synonyms
BRN 55952085-(3,4,5-Trimethoxybenzyl)-2,4-thiazolidinedione2,4-Thiazolidinedione, 5-(3,4,5-trimethoxybenzyl)-79525-03-42,4-Thiazolidinedione, 5-((3,4,5-trimethoxyphenyl)methyl)-RefChem:246976SCHEMBL11168133DTXSID8010005684-Hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-2(5H)-one
Database identifiers
- CAS
79525-03-4- PubChem CID
- 3061685
- DTXSID
DTXSID801000568- Nikkaji
- J59.636A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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