| MolName | 2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide |
| MolecularFormula | C18H10N2O3ClF3S |
| Smiles | O=C(CN(C(/C(/S1)=C/c(c(F)ccc2)c2Cl)=O)C1=O)Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C18H10ClF3N2O3S/c19-11-2-1-3-12(21)10(11)7-15-17(26)24(18(27)28-15)8-16(25)23-14-5-4-9(20)6-13(14)22/h1-7H,8H2,(H,23,25) |
| InChIK | CQDSHBQCQXWMGR-UHFFFAOYSA-N |
| TotalMolweight | 426.801 |
| Molweight | 426.801 |
| MonoisotopicMass | 426.005274 |
| CLogP | 3.4431 |
| CLogS | -5.739 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.96 |
| Relative PSA | 0.25133 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 3.8733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide | 2 - 2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide