| MolName | (5E)-1-(4-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H16N2O4ClF |
| Smiles | O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C\c(cc2)ccc2OCc(cc2)ccc2F)NC1=O |
| InChI | InChI=1S/C24H16ClFN2O4/c25-17-5-9-19(10-6-17)28-23(30)21(22(29)27-24(28)31)13-15-3-11-20(12-4-15)32-14-16-1-7-18(26)8-2-16/h1-13H,14H2,(H,27,29,31) |
| InChIK | UCFPQNDHRJWAGT-UHFFFAOYSA-N |
| TotalMolweight | 450.852 |
| Molweight | 450.852 |
| MonoisotopicMass | 450.078263 |
| CLogP | 4.2103 |
| CLogS | -6.278 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.53 |
| Relative PSA | 0.19761 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 3.2359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-1-(4-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione