(4E)-3-benzyl-4-[(E)-(3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-2-one
Formula:C20H18N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-3-benzyl-4-[(E)-(3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-2-one is a drug-like molecule.
| MolName | (4E)-3-benzyl-4-[(E)-(3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-2-one |
| MolecularFormula | C20H18N4O2S2 |
| Smiles | O=C(N1Cc2ccccc2)SC/C1=N\N=C(/CS1)\N(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C20H18N4O2S2/c25-19-23(11-15-7-3-1-4-8-15)17(13-27-19)21-22-18-14-28-20(26)24(18)12-16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIK | XXIPWEXNNOJQPE-UHFFFAOYSA-N |
| TotalMolweight | 410.521 |
| Molweight | 410.521 |
| MonoisotopicMass | 410.087116 |
| CLogP | 3.6938 |
| CLogS | -4.812 |
| H Acceptors | 6 |
| TotalSurfaceArea | 298.08 |
| Relative PSA | 0.30589 |
| PolarSurfaceArea | 115.94 |
| Druglikeness | 2.8065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 16 |
| Amides | 2 |
| StereoCon |
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1 - (4E)-3-benzyl-4-[(E)-(3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-2-one | 2 - (4E)-3-benzyl-4-[(E)-(3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-2-one
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