N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
Formula:C22H14N2O4F2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.
| MolName | N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide |
| MolecularFormula | C22H14N2O4F2S |
| Smiles | O=C(CN(C(/C(/S1)=C/c2ccc(-c3ccccc3)o2)=O)C1=O)Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C22H14F2N2O4S/c23-14-6-8-17(16(24)10-14)25-20(27)12-26-21(28)19(31-22(26)29)11-15-7-9-18(30-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27) |
| InChIK | VJPCLDFISDATQB-UHFFFAOYSA-N |
| TotalMolweight | 440.425 |
| Molweight | 440.425 |
| MonoisotopicMass | 440.064234 |
| CLogP | 3.6752 |
| CLogS | -6.149 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.64 |
| Relative PSA | 0.27421 |
| PolarSurfaceArea | 104.92 |
| Druglikeness | 4.6318 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide | 2 - N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
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