2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-5,7,8-trimethyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-
Basic information
- CAS
97322-96-8- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CCC(COc1ccc(CC3SC(=O)NC3=O)cc1)O2- InChIKey
GHVMCVHCRDMSIU-UHFFFAOYSA-N- Molecular formula
- C23H25NO5S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.14534407
Names & identifiers
- Preferred name
- 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-5,7,8-trimethyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-
- IUPAC
- 5-[[4-[(6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Names & synonyms
BRN 65428482,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-5,7,8-trimethyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-97322-96-8RefChem:246970CHEMBL135449SCHEMBL7457829DTXSID20913986GHVMCVHCRDMSIU-UHFFFAOYSA-N5-[4-(6-Hydroxy-5,7,8-trimethylchroman-2-ylmethoxy)benzyl]thiazolidine-2,4-dione4-Hydroxy-5-({4-[(6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-1,3-thiazol-2(5H)-one
Database identifiers
- CAS
97322-96-8- PubChem CID
- 9954259
- DTXSID
DTXSID20913986- ChEMBL
CHEMBL135449
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
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Related reactions
1 records
Compound notes
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