| MolName | (5E)-1-(4-bromophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H15N2O4BrCl2 |
| Smiles | O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)NC1=O |
| InChI | InChI=1S/C24H15BrCl2N2O4/c25-16-4-7-18(8-5-16)29-23(31)20(22(30)28-24(29)32)11-14-1-9-19(10-2-14)33-13-15-3-6-17(26)12-21(15)27/h1-12H,13H2,(H,28,30,32) |
| InChIK | AWXYMJMEDSITCD-UHFFFAOYSA-N |
| TotalMolweight | 546.203 |
| Molweight | 546.203 |
| MonoisotopicMass | 543.959223 |
| CLogP | 5.4407 |
| CLogS | -7.534 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.23 |
| Relative PSA | 0.18207 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 2.7859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-bromophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione