| MolName | (5E)-1-(4-bromophenyl)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H16N2O4BrCl |
| Smiles | O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc(cccc2)c2Cl)NC1=O |
| InChI | InChI=1S/C24H16BrClN2O4/c25-17-7-9-18(10-8-17)28-23(30)20(22(29)27-24(28)31)13-15-5-11-19(12-6-15)32-14-16-3-1-2-4-21(16)26/h1-13H,14H2,(H,27,29,31) |
| InChIK | WNJDIJKLQFODMI-UHFFFAOYSA-N |
| TotalMolweight | 511.758 |
| Molweight | 511.758 |
| MonoisotopicMass | 509.998196 |
| CLogP | 4.8347 |
| CLogS | -6.798 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 336.81 |
| Relative PSA | 0.1904 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 2.7859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59375 |
| 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 | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-1-(4-bromophenyl)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-bromophenyl)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione