| MolName | 2-[(4Z)-4-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide |
| MolecularFormula | C23H16N4O4 |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=C(/C(N2CC(Nc3ccccc3)=O)=O)\NC2=O)o1 |
| InChI | InChI=1S/C23H16N4O4/c24-13-15-6-8-16(9-7-15)20-11-10-18(31-20)12-19-22(29)27(23(30)26-19)14-21(28)25-17-4-2-1-3-5-17/h1-12H,14H2,(H,25,28)(H,26,30) |
| InChIK | GVAJGYLCYLYXPC-UHFFFAOYSA-N |
| TotalMolweight | 412.404 |
| Molweight | 412.404 |
| MonoisotopicMass | 412.117156 |
| CLogP | 2.6881 |
| CLogS | -5.881 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 315.62 |
| Relative PSA | 0.29548 |
| PolarSurfaceArea | 115.44 |
| Druglikeness | 1.8973 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - 2-[(4Z)-4-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide | 2 - 2-[(4Z)-4-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide