| MolName | (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(3-bromophenyl)-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C24H15N2O4Br2F |
| Smiles | O=C(/C(/C(N1c2cc(Br)ccc2)=O)=C\c(cc2)cc(Br)c2OCc(cc2)ccc2F)NC1=O |
| InChI | InChI=1S/C24H15Br2FN2O4/c25-16-2-1-3-18(12-16)29-23(31)19(22(30)28-24(29)32)10-15-6-9-21(20(26)11-15)33-13-14-4-7-17(27)8-5-14/h1-12H,13H2,(H,28,30,32) |
| InChIK | SUZAWDKMLOUGQZ-UHFFFAOYSA-N |
| TotalMolweight | 574.199 |
| Molweight | 574.199 |
| MonoisotopicMass | 571.938258 |
| CLogP | 5.0547 |
| CLogS | -7.21 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 346.37 |
| Relative PSA | 0.18515 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 1.3873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(3-bromophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(3-bromophenyl)-1,3-diazinane-2,4,6-trione