5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione
Basic information
- CAS
109229-58-5- Standard SMILES
O=C1NC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccccc2)O3)S1- InChIKey
MVDXXGIBARMXSA-UHFFFAOYSA-N- Molecular formula
- C20H19NO3S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.10856464
Names & identifiers
- Preferred name
- 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione
- English name
- Englitazone
- Molecular formula
- C20H19NO3S
- Molecular weight
- 353.43
Names & synonyms
SCHEMBL37697CHEMBL559775-[(2-benzyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-1,3-thiazolidine-2,4-dione5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dioneQ5378714CP-68722Englitazone5-[[2-Benzyl-3,4-dihydro-2H-1-benzopyran]-6-ylmethyl]thiazolidine-2,4-dione5-[[(R)-2-Benzyl-3,4-dihydro-2H-1-benzopyran]-6-ylmethyl]thiazolidine-2,4-dione2,4-Thiazolidinedione, 5-[[3,4-dihydro-2-(phenylmethyl)-2H-1-benzopyran-6-yl]methyl]-
Database identifiers
- CAS
109229-58-5- PubChem CID
- 60303
- DTXSID
DTXSID80883191- ChEMBL
CHEMBL55977- Nikkaji
- J360.928F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 562.7 · 562.7±19.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 6.33 · 6.33±0.50(Predicted)
- FDA UNII
- 5577 C3O · ZQW5577C3O
Chemistry & industry
Applications
UsesAntidiabetic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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