| MolName | (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H18N2O5 |
| Smiles | Oc1ccc(/C=C(\C(NC(N2c(cc3)ccc3OCc3ccccc3)=O)=O)/C2=O)cc1 |
| InChI | InChI=1S/C24H18N2O5/c27-19-10-6-16(7-11-19)14-21-22(28)25-24(30)26(23(21)29)18-8-12-20(13-9-18)31-15-17-4-2-1-3-5-17/h1-14,27H,15H2,(H,25,28,30) |
| InChIK | LNAZMBDIMZCJAN-UHFFFAOYSA-N |
| TotalMolweight | 414.416 |
| Molweight | 414.416 |
| MonoisotopicMass | 414.121573 |
| CLogP | 3.1578 |
| CLogS | -4.932 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 309.11 |
| Relative PSA | 0.24985 |
| PolarSurfaceArea | 95.94 |
| Druglikeness | 4.5384 |
| 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 | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione