| MolName | (5Z)-3-benzyl-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H15N2O2ClS2 |
| Smiles | O=C(/C(/N1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)N(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C21H15ClN2O2S2/c22-15-6-8-16(9-7-15)27-19-11-10-17(28-19)12-18-20(25)24(21(26)23-18)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,26) |
| InChIK | CUVILVOAEBKWTM-UHFFFAOYSA-N |
| TotalMolweight | 426.947 |
| Molweight | 426.947 |
| MonoisotopicMass | 426.026345 |
| CLogP | 5.0377 |
| CLogS | -6.246 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.86 |
| Relative PSA | 0.25979 |
| PolarSurfaceArea | 102.95 |
| Druglikeness | 5.8342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-benzyl-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione