2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
Basic information
- CAS
128317-46-4- Standard SMILES
Cc1c(N2C(=O)CSC2c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C- InChIKey
QEZXFSGXYNWGOT-UHFFFAOYSA-N- Molecular formula
- C20H18ClN3O2S
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.0808257
Names & identifiers
- Preferred name
- 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
- IUPAC
- 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
- English name
- 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
- Molecular formula
- C20H18ClN3O2S
- Molecular weight
- 399.89
Names & synonyms
128317-46-42-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-oneCBMicro_006092ChemDiv1_0080782-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-oneHMS609P04SMSF0007215STK970451AKOS001647885AKOS016295430CB08308BIM-0006188.P001
Show more names
4-Thiazolidinone, 2-(2-chlorophenyl)-3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
ST50054952SR-01000469457SR-01000469457-12-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiazolidin-4-one3-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-2-(2-chlorophenyl)-1,3-thiaz olidin-4-one
Database identifiers
- CAS
128317-46-4- PubChem CID
- 2866180
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 649
Physicochemical properties
- Melting point
- 141 °C · 141 °C(Solv: ethanol (64-17-5))
- Boiling point
- 566.3 · 566.3±60.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- pka
- 1.45 · 1.45±0.65(Predicted)
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Compound notes
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