| MolName | (5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H17N2O4F |
| Smiles | O=C(/C(/C(N1c2ccccc2)=O)=C\c2cccc(OCc(cccc3)c3F)c2)NC1=O |
| InChI | InChI=1S/C24H17FN2O4/c25-21-12-5-4-8-17(21)15-31-19-11-6-7-16(13-19)14-20-22(28)26-24(30)27(23(20)29)18-9-2-1-3-10-18/h1-14H,15H2,(H,26,28,30) |
| InChIK | LPNNACRHQDVBSF-UHFFFAOYSA-N |
| TotalMolweight | 416.407 |
| Molweight | 416.407 |
| MonoisotopicMass | 416.117236 |
| CLogP | 3.6043 |
| CLogS | -5.542 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.11 |
| Relative PSA | 0.20747 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 3.1773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione