(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C17H12N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H12N2O2Cl2S |
| Smiles | O=C(/C(/N1)=C\c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)NC1=S |
| InChI | InChI=1S/C17H12Cl2N2O2S/c18-12-4-3-11(14(19)8-12)9-23-13-5-1-10(2-6-13)7-15-16(22)21-17(24)20-15/h1-8H,9H2,(H2,20,21,22,24) |
| InChIK | IPDSDYQVYYGXCO-UHFFFAOYSA-N |
| TotalMolweight | 379.266 |
| Molweight | 379.266 |
| MonoisotopicMass | 377.999652 |
| CLogP | 3.7889 |
| CLogS | -5.633 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 272.21 |
| Relative PSA | 0.2717 |
| PolarSurfaceArea | 82.45 |
| Druglikeness | 2.0205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
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