| MolName | (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C23H22N3O5Br |
| Smiles | O=C(COc(ccc(/C=C(/C(N1Cc2ccccc2)=O)\NC1=O)c1)c1Br)N1CCOCC1 |
| InChI | InChI=1S/C23H22BrN3O5/c24-18-12-17(6-7-20(18)32-15-21(28)26-8-10-31-11-9-26)13-19-22(29)27(23(30)25-19)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,25,30) |
| InChIK | NEOCCPVQVWEUCS-UHFFFAOYSA-N |
| TotalMolweight | 500.348 |
| Molweight | 500.348 |
| MonoisotopicMass | 499.074283 |
| CLogP | 2.5137 |
| CLogS | -4.021 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 337.23 |
| Relative PSA | 0.23035 |
| PolarSurfaceArea | 88.18 |
| Druglikeness | 3.0078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-benzyl-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]imidazolidine-2,4-dione