N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-naphthalen-1-ylacetamide
Formula:C20H14N2O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C20H14N2O3S2 |
| Smiles | O=C(Cc1cccc2ccccc12)NN(C(/C(/S1)=C\c2ccco2)=O)C1=S |
| InChI | InChI=1S/C20H14N2O3S2/c23-18(11-14-7-3-6-13-5-1-2-9-16(13)14)21-22-19(24)17(27-20(22)26)12-15-8-4-10-25-15/h1-10,12H,11H2,(H,21,23) |
| InChIK | HVTVORNDIBNDEU-UHFFFAOYSA-N |
| TotalMolweight | 394.474 |
| Molweight | 394.474 |
| MonoisotopicMass | 394.044583 |
| CLogP | 1.8524 |
| CLogS | -5.937 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.74 |
| Relative PSA | 0.34752 |
| PolarSurfaceArea | 119.94 |
| Druglikeness | 3.7882 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-naphthalen-1-ylacetamide | 2 - N-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-naphthalen-1-ylacetamide
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