3-(4-Butylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
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Basic information
- CAS
944774-62-3- Standard SMILES
CCCCc1ccc(N2C(=O)CSC2c2cccc(OC)c2OC)cc1- InChIKey
TVPIUMMJORHHOT-UHFFFAOYSA-N- Molecular formula
- C21H25NO3S
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.15551483
Names & identifiers
- Preferred name
- 3-(4-Butylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
- IUPAC
- 3-(4-butylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
- English name
- 3-(4-butylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
- Molecular formula
- C21H25NO3S
- Molecular weight
- 371.49
Names & synonyms
3-(4-butylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-oneAR-685/433631224-Thiazolidinone, 3-(4-butylphenyl)-2-(2,3-dimethoxyphenyl)-
Database identifiers
- CAS
944774-62-3- PubChem CID
- 16044781
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 575.8 · 575.8±50.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- -0.46 · -0.46±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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