| MolName | (2Z)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C21H14N2O3S2 |
| Smiles | O=C(CN(C(CS1)=O)/C1=C/c1nc(cccc2)c2s1)c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C21H14N2O3S2/c24-15(17-9-13-5-1-3-7-16(13)26-17)11-23-20(25)12-27-21(23)10-19-22-14-6-2-4-8-18(14)28-19/h1-10H,11-12H2 |
| InChIK | WFZVHUZWMYAIDA-UHFFFAOYSA-N |
| TotalMolweight | 406.485 |
| Molweight | 406.485 |
| MonoisotopicMass | 406.044583 |
| CLogP | 3.4569 |
| CLogS | -5.683 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.63 |
| Relative PSA | 0.32069 |
| PolarSurfaceArea | 116.95 |
| Druglikeness | 5.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (2Z)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one