Basic information
- CAS
352702-82-0- Standard SMILES
Cc1ccc(N=C2SC(=Cc3cc(Br)ccc3OCC(=O)O)C(=O)N2c2ccc(C)c(C)c2)cc1C- InChIKey
XIHFAPMKZMOLPG-UHFFFAOYSA-N- Molecular formula
- C28H25BrN2O4S
- Average molar mass
- 565.5 g/mol
- Monoisotopic mass
- 564.07184
Names & identifiers
- Preferred name
- 2-[4-Bromo-2-[[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
- IUPAC
- 2-[4-bromo-2-[[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
- English name
- [4-bromo-2-({3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
- Molecular formula
- C28H25BrN2O4S
- Molecular weight
- 565.48
Names & synonyms
[4-bromo-2-({3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
Database identifiers
- CAS
352702-82-0- PubChem CID
- 3343028
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 880
Physicochemical properties
- Boiling point
- 743.085 · 743.085±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.392 · 1.392±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.972 · 2.972±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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