| MolName | (5Z)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H16N2O4Br2 |
| Smiles | O=C(/C(/C(N1c2ccccc2)=O)=C/c(cc2)cc(Br)c2OCc(cc2)ccc2Br)NC1=O |
| InChI | InChI=1S/C24H16Br2N2O4/c25-17-9-6-15(7-10-17)14-32-21-11-8-16(13-20(21)26)12-19-22(29)27-24(31)28(23(19)30)18-4-2-1-3-5-18/h1-13H,14H2,(H,27,29,31) |
| InChIK | CMRNPUZUTHEKIY-UHFFFAOYSA-N |
| TotalMolweight | 556.209 |
| Molweight | 556.209 |
| MonoisotopicMass | 553.94768 |
| CLogP | 4.9539 |
| CLogS | -6.896 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 340.02 |
| Relative PSA | 0.18861 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 2.7273 |
| 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 - (5Z)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione | 2 - (5Z)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione