| MolName | (5Z)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C18H12N2O4BrCl |
| Smiles | O=C(/C(/N1)=C/c(cc2OCOc2c2)c2Cl)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C18H12BrClN2O4/c19-12-3-1-10(2-4-12)8-22-17(23)14(21-18(22)24)5-11-6-15-16(7-13(11)20)26-9-25-15/h1-7H,8-9H2,(H,21,24) |
| InChIK | RAHFQBZJDVSYMF-UHFFFAOYSA-N |
| TotalMolweight | 435.66 |
| Molweight | 435.66 |
| MonoisotopicMass | 433.966896 |
| CLogP | 3.9819 |
| CLogS | -5.978 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.56 |
| Relative PSA | 0.22663 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | 3.0554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-bromophenyl)methyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione