| MolName | (5Z)-3-[(4-bromophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione |
| MolecularFormula | C15H11N2O2BrS |
| Smiles | O=C(/C(/N1)=C/c2cscc2)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C15H11BrN2O2S/c16-12-3-1-10(2-4-12)8-18-14(19)13(17-15(18)20)7-11-5-6-21-9-11/h1-7,9H,8H2,(H,17,20) |
| InChIK | NNDJYEGIUHJNEW-UHFFFAOYSA-N |
| TotalMolweight | 363.234 |
| Molweight | 363.234 |
| MonoisotopicMass | 361.972459 |
| CLogP | 3.0489 |
| CLogS | -4.431 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.82 |
| Relative PSA | 0.26738 |
| PolarSurfaceArea | 77.65 |
| Druglikeness | 3.5038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-[(4-bromophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-bromophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione