| MolName | 2-[2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide |
| MolecularFormula | C25H20N3O4F |
| Smiles | O=C(COc1c(/C=C(\C(N2Cc(cc3)ccc3F)=O)/NC2=O)cccc1)Nc1ccccc1 |
| InChI | InChI=1S/C25H20FN3O4/c26-19-12-10-17(11-13-19)15-29-24(31)21(28-25(29)32)14-18-6-4-5-9-22(18)33-16-23(30)27-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,27,30)(H,28,32) |
| InChIK | MOLDDGWFYSGKOD-UHFFFAOYSA-N |
| TotalMolweight | 445.449 |
| Molweight | 445.449 |
| MonoisotopicMass | 445.143785 |
| CLogP | 3.3625 |
| CLogS | -5.303 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.33 |
| Relative PSA | 0.22609 |
| PolarSurfaceArea | 87.74 |
| Druglikeness | 3.6857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - 2-[2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide | 2 - 2-[2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide