(2E,5R)-5-benzyl-3-[(Z)-benzylideneamino]-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C24H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5R)-5-benzyl-3-[(Z)-benzylideneamino]-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5R)-5-benzyl-3-[(Z)-benzylideneamino]-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H20N4OS |
| Smiles | O=C([C@@H](Cc1ccccc1)S/C1=N/N=C\c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H20N4OS/c29-23-22(16-19-10-4-1-5-11-19)30-24(27-25-17-20-12-6-2-7-13-20)28(23)26-18-21-14-8-3-9-15-21/h1-15,17-18,22H,16H2/t22-/m1/s1 |
| InChIK | ZBMBLUNPUQBZHZ-JOCHJYFZSA-N |
| TotalMolweight | 412.516 |
| Molweight | 412.516 |
| MonoisotopicMass | 412.135781 |
| CLogP | 6.5937 |
| CLogS | -6.437 |
| H Acceptors | 5 |
| TotalSurfaceArea | 323.57 |
| Relative PSA | 0.21204 |
| PolarSurfaceArea | 82.69 |
| Druglikeness | 6.2797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon | this enantiomer |
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1 - (2E,5R)-5-benzyl-3-[(Z)-benzylideneamino]-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E,5R)-5-benzyl-3-[(Z)-benzylideneamino]-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
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