(5E)-3-(2,4-dichlorobenzoyl)-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C17H8N2O2Cl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2,4-dichlorobenzoyl)-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-(2,4-dichlorobenzoyl)-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H8N2O2Cl4S |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N(C(/C(/N1)=C\c(cc2)cc(Cl)c2Cl)=O)C1=S |
| InChI | InChI=1S/C17H8Cl4N2O2S/c18-9-2-3-10(12(20)7-9)15(24)23-16(25)14(22-17(23)26)6-8-1-4-11(19)13(21)5-8/h1-7H,(H,22,26) |
| InChIK | AVSZSJNYIFGNRR-UHFFFAOYSA-N |
| TotalMolweight | 446.141 |
| Molweight | 446.141 |
| MonoisotopicMass | 443.906056 |
| CLogP | 5.4062 |
| CLogS | -6.854 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.88 |
| Relative PSA | 0.23351 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 2.7831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(2,4-dichlorobenzoyl)-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-3-(2,4-dichlorobenzoyl)-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
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