| MolName | N-(2,4-difluorophenyl)-2-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide |
| MolecularFormula | C25H17N2O4F3S |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cccc2)c2OCc(cc2)ccc2F)=O)C1=O)Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C25H17F3N2O4S/c26-17-7-5-15(6-8-17)14-34-21-4-2-1-3-16(21)11-22-24(32)30(25(33)35-22)13-23(31)29-20-10-9-18(27)12-19(20)28/h1-12H,13-14H2,(H,29,31) |
| InChIK | KNWFZDRCLAEBEH-UHFFFAOYSA-N |
| TotalMolweight | 498.48 |
| Molweight | 498.48 |
| MonoisotopicMass | 498.086112 |
| CLogP | 4.1852 |
| CLogS | -6.344 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 353.06 |
| Relative PSA | 0.23118 |
| PolarSurfaceArea | 101.01 |
| Druglikeness | 3.6127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(2,4-difluorophenyl)-2-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(2,4-difluorophenyl)-2-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide