3-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-[[5-(3-fluorophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone
Basic information
- CAS
1018165-08-6- Standard SMILES
Cc1c(N2C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C- InChIKey
YJHRWEDFUAROMN-UHFFFAOYSA-N- Molecular formula
- C25H18FN3O3S2
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.07736195
Names & identifiers
- Preferred name
- 3-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-[[5-(3-fluorophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone
- IUPAC
- 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
DTXSID6011028791018165-08-63-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-[[5-(3-fluorophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone
Database identifiers
- CAS
1018165-08-6- PubChem CID
- 72038908
- DTXSID
DTXSID601102879
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 932
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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