(2E)-3-benzyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C15H13N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-benzyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-benzyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C15H13N3OS2 |
| Smiles | O=C(CS1)N(Cc2ccccc2)/C1=N\N=C/c1cccs1 |
| InChI | InChI=1S/C15H13N3OS2/c19-14-11-21-15(17-16-9-13-7-4-8-20-13)18(14)10-12-5-2-1-3-6-12/h1-9H,10-11H2 |
| InChIK | SPONOQYHOANWPM-UHFFFAOYSA-N |
| TotalMolweight | 315.42 |
| Molweight | 315.42 |
| MonoisotopicMass | 315.050002 |
| CLogP | 4.1063 |
| CLogS | -4.482 |
| H Acceptors | 4 |
| TotalSurfaceArea | 236.25 |
| Relative PSA | 0.32787 |
| PolarSurfaceArea | 98.57 |
| Druglikeness | 6.4287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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