(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
Formula:C20H12N2O3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C20H12N2O3Cl2S |
| Smiles | O=C(/C(/NC1=O)=C/c(o2)ccc2Sc(cc2)ccc2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H12Cl2N2O3S/c21-12-1-5-14(6-2-12)24-19(25)17(23-20(24)26)11-15-7-10-18(27-15)28-16-8-3-13(22)4-9-16/h1-11H,(H,23,26) |
| InChIK | KQZLXFBCRVLJLY-UHFFFAOYSA-N |
| TotalMolweight | 431.298 |
| Molweight | 431.298 |
| MonoisotopicMass | 429.994567 |
| CLogP | 4.9356 |
| CLogS | -6.922 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.27 |
| Relative PSA | 0.24289 |
| PolarSurfaceArea | 87.85 |
| Druglikeness | 5.0126 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
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