| MolName | (5Z)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C24H16N2O3BrCl2F |
| Smiles | O=C(/C(/N1)=C/c(cc(cc2)Br)c2OCc(cc2)cc(Cl)c2Cl)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C24H16BrCl2FN2O3/c25-17-6-8-22(33-13-14-5-7-18(26)19(27)9-14)16(10-17)11-21-23(31)30(24(32)29-21)12-15-3-1-2-4-20(15)28/h1-11H,12-13H2,(H,29,32) |
| InChIK | GDKBCIGELUFMII-UHFFFAOYSA-N |
| TotalMolweight | 550.21 |
| Molweight | 550.21 |
| MonoisotopicMass | 547.970536 |
| CLogP | 5.9254 |
| CLogS | -7.658 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.59 |
| Relative PSA | 0.14408 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 1.5786 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione