2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
Formula:C12H10N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C12H10N2O3S2 |
| Smiles | NC(COc1cccc(/C=C(/C(N2)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C12H10N2O3S2/c13-10(15)6-17-8-3-1-2-7(4-8)5-9-11(16)14-12(18)19-9/h1-5H,6H2,(H2,13,15)(H,14,16,18) |
| InChIK | VQTIOMFAWVJSQT-UHFFFAOYSA-N |
| TotalMolweight | 294.354 |
| Molweight | 294.354 |
| MonoisotopicMass | 294.013283 |
| CLogP | -0.1936 |
| CLogS | -3.369 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 213.91 |
| Relative PSA | 0.50629 |
| PolarSurfaceArea | 138.81 |
| Druglikeness | 2.8653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide | 2 - 2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
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