| MolName | (4E)-4-[[4-[(E)-(5-oxo-2-phenyl-1,3-thiazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-thiazol-5-one |
| MolecularFormula | C26H16N2O2S2 |
| Smiles | O=C1SC(c2ccccc2)=N/C1=C/c1ccc(/C=C2/N=C(c3ccccc3)SC2=O)cc1 |
| InChI | InChI=1S/C26H16N2O2S2/c29-25-21(27-23(31-25)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22-26(30)32-24(28-22)20-9-5-2-6-10-20/h1-16H |
| InChIK | PFOTXFINRCOJDQ-UHFFFAOYSA-N |
| TotalMolweight | 452.557 |
| Molweight | 452.557 |
| MonoisotopicMass | 452.065318 |
| CLogP | 5.8968 |
| CLogS | -6.78 |
| H Acceptors | 4 |
| TotalSurfaceArea | 331.62 |
| Relative PSA | 0.25354 |
| PolarSurfaceArea | 109.46 |
| Druglikeness | 2.011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 19 |
| StereoCon |
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1 - (4E)-4-[[4-[(E)-(5-oxo-2-phenyl-1,3-thiazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-thiazol-5-one | 2 - (4E)-4-[[4-[(E)-(5-oxo-2-phenyl-1,3-thiazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-thiazol-5-one