Basic information
- CAS
380483-03-4- Standard SMILES
COCCCN1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1ccccc1- InChIKey
RVMCCWJZSSYSIV-UHFFFAOYSA-N- Molecular formula
- C22H23N3O2S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.15109816
Names & identifiers
- Preferred name
- 2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
- IUPAC
- 2-(1,3-diphenylpyrazol-4-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
- English name
- 4-Thiazolidinone, 2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(3-methoxypropyl)-
- Molecular formula
- C22H23N3O2S
- Molecular weight
- 393.5
Names & synonyms
2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-oneSTK021636AKOS001020085AKOS016877979WAY-380216Z568129164-Thiazolidinone, 2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(3-methoxypropyl)-
Database identifiers
- CAS
380483-03-4- PubChem CID
- 3979945
- EC Number
- 138-699-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 614.3 · 614.3±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- -1.07 · -1.07±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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