| MolName | 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-phenylacetamide |
| MolecularFormula | C23H19N3O5S3 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)C1=O)Nc1ccccc1 |
| InChI | InChI=1S/C23H19N3O5S3/c27-18(24-14-6-2-1-3-7-14)12-25-17-9-5-4-8-16(17)19(21(25)28)20-22(29)26(23(32)33-20)15-10-11-34(30,31)13-15/h1-9,15H,10-13H2,(H,24,27)/t15-/m1/s1 |
| InChIK | GVMLZOXOXMBDNT-OAHLLOKOSA-N |
| TotalMolweight | 513.618 |
| Molweight | 513.618 |
| MonoisotopicMass | 513.048682 |
| CLogP | 0.3106 |
| CLogS | -4.549 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 347.07 |
| Relative PSA | 0.37961 |
| PolarSurfaceArea | 169.63 |
| Druglikeness | 1.8282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-phenylacetamide | 2 - 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-phenylacetamide