| MolName | (5E)-3-benzyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H17NO2Cl2S2 |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C24H17Cl2NO2S2/c25-19-11-10-18(20(26)13-19)15-29-21-9-5-4-8-17(21)12-22-23(28)27(24(30)31-22)14-16-6-2-1-3-7-16/h1-13H,14-15H2 |
| InChIK | WIGOMHAUOTUQAU-UHFFFAOYSA-N |
| TotalMolweight | 486.442 |
| Molweight | 486.442 |
| MonoisotopicMass | 485.007773 |
| CLogP | 5.3753 |
| CLogS | -7.274 |
| H Acceptors | 3 |
| TotalSurfaceArea | 350.6 |
| Relative PSA | 0.20559 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 3.8222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-benzyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one