(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C20H12N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C20H12N2O2Cl2S |
| Smiles | O=C(/C(/NC1=S)=C/c2ccc(-c(cc(cc3)Cl)c3Cl)o2)N1c1ccccc1 |
| InChI | InChI=1S/C20H12Cl2N2O2S/c21-12-6-8-16(22)15(10-12)18-9-7-14(26-18)11-17-19(25)24(20(27)23-17)13-4-2-1-3-5-13/h1-11H,(H,23,27) |
| InChIK | GVWLKUAHPWJUAL-UHFFFAOYSA-N |
| TotalMolweight | 415.299 |
| Molweight | 415.299 |
| MonoisotopicMass | 413.999652 |
| CLogP | 5.1278 |
| CLogS | -7.235 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.74 |
| Relative PSA | 0.23644 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | 3.786 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
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