5-{4-[2-(3-Phenylthio-2-hydroxypropylamino)propoxy]benzyl}thiazolidine-2,4-dione
Basic information
- Standard SMILES
CC(COc1ccc(CC2SC(=O)NC2=O)cc1)NCC(O)CSc1ccccc1- InChIKey
AHEPOSPOVFSCDS-UHFFFAOYSA-N- Molecular formula
- C22H26N2O4S2
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.13339966
Names & identifiers
- Preferred name
- 5-{4-[2-(3-Phenylthio-2-hydroxypropylamino)propoxy]benzyl}thiazolidine-2,4-dione
- IUPAC
- 5-[[4-[2-[(2-hydroxy-3-phenylsulfanylpropyl)amino]propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Names & synonyms
SCHEMBL8974731AHEPOSPOVFSCDS-UHFFFAOYSA-N5-{4-[2-(3-Phenylthio-2-hydroxypropylamino)-propoxy]benzyl}thiazolidine-2,4-dione5-{4-[2-(3-phenylthio-2-hydroxypropylamino)propoxy]benzyl}thiazolidine-2,4-dione
Database identifiers
- PubChem CID
- 21474787
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Related reactions
5 records
Compound notes
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