| MolName | (5E)-3-[(2-fluorophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H15N2O3FS |
| Smiles | O=C(/C(/N1)=C\c(o2)ccc2Sc2ccccc2)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C21H15FN2O3S/c22-17-9-5-4-6-14(17)13-24-20(25)18(23-21(24)26)12-15-10-11-19(27-15)28-16-7-2-1-3-8-16/h1-12H,13H2,(H,23,26) |
| InChIK | YAAIZQNTEYBBHG-UHFFFAOYSA-N |
| TotalMolweight | 394.425 |
| Molweight | 394.425 |
| MonoisotopicMass | 394.078741 |
| CLogP | 3.7473 |
| CLogS | -5.242 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.54 |
| Relative PSA | 0.25192 |
| PolarSurfaceArea | 87.85 |
| Druglikeness | 4.6216 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]imidazolidine-2,4-dione