| MolName | (5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C23H17N2O5F |
| Smiles | O=C(/C(/C(N1Cc2ccco2)=O)=C\c(cccc2)c2OCc2cccc(F)c2)NC1=O |
| InChI | InChI=1S/C23H17FN2O5/c24-17-7-3-5-15(11-17)14-31-20-9-2-1-6-16(20)12-19-21(27)25-23(29)26(22(19)28)13-18-8-4-10-30-18/h1-12H,13-14H2,(H,25,27,29) |
| InChIK | GSOJFOQCVUJWLQ-UHFFFAOYSA-N |
| TotalMolweight | 420.395 |
| Molweight | 420.395 |
| MonoisotopicMass | 420.112151 |
| CLogP | 2.7159 |
| CLogS | -4.702 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.56 |
| Relative PSA | 0.25032 |
| PolarSurfaceArea | 88.85 |
| Druglikeness | 4.0412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione