| MolName | (5E)-1-(4-bromophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H17N2O4Br |
| Smiles | O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c(cc2)ccc2OCc2ccccc2)NC1=O |
| InChI | InChI=1S/C24H17BrN2O4/c25-18-8-10-19(11-9-18)27-23(29)21(22(28)26-24(27)30)14-16-6-12-20(13-7-16)31-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,26,28,30) |
| InChIK | LZBJZTLVEQMTBH-UHFFFAOYSA-N |
| TotalMolweight | 477.313 |
| Molweight | 477.313 |
| MonoisotopicMass | 476.037169 |
| CLogP | 4.2287 |
| CLogS | -6.062 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 321.39 |
| Relative PSA | 0.19954 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 2.7273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6129 |
| 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 | 6 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-1-(4-bromophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-bromophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione