(5E)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H20N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H20N2O2S2 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c2ccccc2)=O)C1=S)N1CCCCC1 |
| InChI | InChI=1S/C18H20N2O2S2/c21-16(19-10-5-2-6-11-19)9-12-20-17(22)15(24-18(20)23)13-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2 |
| InChIK | UZUSGDJYFGTDDK-UHFFFAOYSA-N |
| TotalMolweight | 360.501 |
| Molweight | 360.501 |
| MonoisotopicMass | 360.096618 |
| CLogP | 2.3347 |
| CLogS | -3.769 |
| H Acceptors | 4 |
| TotalSurfaceArea | 273.59 |
| Relative PSA | 0.28755 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | 2.683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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