| MolName | (5E)-1-(furan-2-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C23H18N2O5 |
| Smiles | O=C(/C(/C(N1Cc2ccco2)=O)=C\c(cccc2)c2OCc2ccccc2)NC1=O |
| InChI | InChI=1S/C23H18N2O5/c26-21-19(22(27)25(23(28)24-21)14-18-10-6-12-29-18)13-17-9-4-5-11-20(17)30-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,26,28) |
| InChIK | LLUHBGOYFSGADT-UHFFFAOYSA-N |
| TotalMolweight | 402.405 |
| Molweight | 402.405 |
| MonoisotopicMass | 402.121573 |
| CLogP | 2.6151 |
| CLogS | -4.388 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.21 |
| Relative PSA | 0.25551 |
| PolarSurfaceArea | 88.85 |
| Druglikeness | 5.3812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-1-(furan-2-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(furan-2-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione