| MolName | N-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzamide |
| MolecularFormula | C20H14N2O4S2 |
| Smiles | Oc(cccc1)c1C(NN(C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)=O)C1=S)=O |
| InChI | InChI=1S/C20H14N2O4S2/c23-15-7-3-2-6-14(15)18(24)21-22-19(25)17(28-20(22)27)10-12-9-13-5-1-4-8-16(13)26-11-12/h1-10,23H,11H2,(H,21,24) |
| InChIK | RYJUOJYWPGJMKS-UHFFFAOYSA-N |
| TotalMolweight | 410.473 |
| Molweight | 410.473 |
| MonoisotopicMass | 410.039498 |
| CLogP | 1.5357 |
| CLogS | -4.688 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.01 |
| Relative PSA | 0.37432 |
| PolarSurfaceArea | 136.26 |
| Druglikeness | 3.9159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - N-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzamide | 2 - N-[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzamide