| MolName | (5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione |
| MolecularFormula | C20H13N2O3ClS |
| Smiles | O=C(/C(/NC1=O)=C/c(o2)ccc2Sc(cc2)ccc2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C20H13ClN2O3S/c21-13-6-9-16(10-7-13)27-18-11-8-15(26-18)12-17-19(24)23(20(25)22-17)14-4-2-1-3-5-14/h1-12H,(H,22,25) |
| InChIK | QDZSPPXSBRQPKJ-UHFFFAOYSA-N |
| TotalMolweight | 396.853 |
| Molweight | 396.853 |
| MonoisotopicMass | 396.03354 |
| CLogP | 4.3296 |
| CLogS | -6.186 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.85 |
| Relative PSA | 0.25609 |
| PolarSurfaceArea | 87.85 |
| Druglikeness | 5.0126 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione | 2 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-phenylimidazolidine-2,4-dione