| MolName | (5Z)-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H16N2O3S |
| Smiles | O=C(/C(/S1)=C/c2cn(CCOc3ccccc3)c3c2cccc3)NC1=O |
| InChI | InChI=1S/C20H16N2O3S/c23-19-18(26-20(24)21-19)12-14-13-22(17-9-5-4-8-16(14)17)10-11-25-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,23,24) |
| InChIK | JUOBMMSJIPCPHP-UHFFFAOYSA-N |
| TotalMolweight | 364.424 |
| Molweight | 364.424 |
| MonoisotopicMass | 364.088163 |
| CLogP | 2.9363 |
| CLogS | -4.292 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270 |
| Relative PSA | 0.2663 |
| PolarSurfaceArea | 85.63 |
| Druglikeness | 5.0418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione