| MolName | (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C20H15N2O3F |
| Smiles | C#CCOc1ccc(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)cc1 |
| InChI | InChI=1S/C20H15FN2O3/c1-2-11-26-16-9-7-14(8-10-16)12-18-19(24)23(20(25)22-18)13-15-5-3-4-6-17(15)21/h1,3-10,12H,11,13H2,(H,22,25) |
| InChIK | NFYQYYBJFAPREN-UHFFFAOYSA-N |
| TotalMolweight | 350.348 |
| Molweight | 350.348 |
| MonoisotopicMass | 350.106671 |
| CLogP | 2.5973 |
| CLogS | -4.653 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.17 |
| Relative PSA | 0.18981 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 3.3591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione