| MolName | (5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C21H14N2O3ClFS |
| Smiles | O=C(/C(/N1)=C/c(o2)ccc2Sc(cc2)ccc2Cl)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C21H14ClFN2O3S/c22-14-5-8-16(9-6-14)29-19-10-7-15(28-19)11-18-20(26)25(21(27)24-18)12-13-3-1-2-4-17(13)23/h1-11H,12H2,(H,24,27) |
| InChIK | QEBKCVBREMOWDK-UHFFFAOYSA-N |
| TotalMolweight | 428.87 |
| Molweight | 428.87 |
| MonoisotopicMass | 428.039768 |
| CLogP | 4.3533 |
| CLogS | -5.978 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.96 |
| Relative PSA | 0.23914 |
| PolarSurfaceArea | 87.85 |
| Druglikeness | 4.6725 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione