3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
Basic information
- CAS
923554-29-4- Standard SMILES
Cc1c(N2C(=O)C(C)SC2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C- InChIKey
ZVFAEGAKCSDRSQ-UHFFFAOYSA-N- Molecular formula
- C21H20FN3O2S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.12602622
Names & identifiers
- Preferred name
- 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
- IUPAC
- 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
- English name
- 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
- Molecular formula
- C21H20FN3O2S
- Molecular weight
- 397.4658032
Names & synonyms
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-oneAR-685/43306166NSC729244NSC-7292443-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluorophenyl)-5-methyl-1,3-thiazolidin-4-one
Database identifiers
- CAS
923554-29-4- PubChem CID
- 11842489
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 671
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