| MolName | (5Z)-2-morpholin-4-yl-5-[(E)-5-oxo-1,3,5-triphenylpent-2-enylidene]-1,3-thiazol-4-one |
| MolecularFormula | C30H26N2O3S |
| Smiles | O=C(C/C(/c1ccccc1)=C\C(\c1ccccc1)=C1\SC(N2CCOCC2)=NC1=O)c1ccccc1 |
| InChI | InChI=1S/C30H26N2O3S/c33-27(24-14-8-3-9-15-24)21-25(22-10-4-1-5-11-22)20-26(23-12-6-2-7-13-23)28-29(34)31-30(36-28)32-16-18-35-19-17-32/h1-15,20H,16-19,21H2 |
| InChIK | PAFNOFPXFXDWLA-UHFFFAOYSA-N |
| TotalMolweight | 494.613 |
| Molweight | 494.613 |
| MonoisotopicMass | 494.166413 |
| CLogP | 4.8068 |
| CLogS | -5.494 |
| H Acceptors | 5 |
| TotalSurfaceArea | 378.47 |
| Relative PSA | 0.18134 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | 3.854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-morpholin-4-yl-5-[(E)-5-oxo-1,3,5-triphenylpent-2-enylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-morpholin-4-yl-5-[(E)-5-oxo-1,3,5-triphenylpent-2-enylidene]-1,3-thiazol-4-one