| MolName | (5Z)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C21H14N2O2Cl2S2 |
| Smiles | O=C(/C(/N1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)N(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C21H14Cl2N2O2S2/c22-14-5-7-15(8-6-14)28-19-10-9-16(29-19)11-18-20(26)25(21(27)24-18)12-13-3-1-2-4-17(13)23/h1-11H,12H2,(H,24,27) |
| InChIK | YLKJFZFBDNAWAP-UHFFFAOYSA-N |
| TotalMolweight | 461.392 |
| Molweight | 461.392 |
| MonoisotopicMass | 459.987372 |
| CLogP | 5.6437 |
| CLogS | -6.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 319.28 |
| Relative PSA | 0.24724 |
| 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 | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(2-chlorophenyl)methyl]-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione