| MolName | (5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H23N2O4Cl |
| Smiles | O=C(/C(/C(N1C2CCCCC2)=O)=C\c(cccc2)c2OCc(cccc2)c2Cl)NC1=O |
| InChI | InChI=1S/C24H23ClN2O4/c25-20-12-6-4-9-17(20)15-31-21-13-7-5-8-16(21)14-19-22(28)26-24(30)27(23(19)29)18-10-2-1-3-11-18/h4-9,12-14,18H,1-3,10-11,15H2,(H,26,28,30) |
| InChIK | QZVKJVOIESJGLW-UHFFFAOYSA-N |
| TotalMolweight | 438.91 |
| Molweight | 438.91 |
| MonoisotopicMass | 438.134635 |
| CLogP | 4.17 |
| CLogS | -5.693 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 326.22 |
| Relative PSA | 0.19659 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | -0.50008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione