Basic information
- CAS
592540-37-9- Standard SMILES
Cc1ccc(C(=O)O)cc1-c1ccc(C=C2SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1- InChIKey
ZOPVVNIAMATOKS-UHFFFAOYSA-N- Molecular formula
- C24H16ClNO7S
- Average molar mass
- 497.9 g/mol
Names & identifiers
- Preferred name
- 3-[5-[[3-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
- IUPAC
- 3-[5-[[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
- English name
- 3-[5-({3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]-4-methylbenzoic acid
- Molecular formula
- C24H16ClNO7S
- Molecular weight
- 497.91
Names & synonyms
3-[5-({3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]-4-methylbenzoic acid
Database identifiers
- CAS
592540-37-9
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 868
Physicochemical properties
- Boiling point
- 704.403 · 704.403±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.208 · 4.208±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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