| MolName | (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C22H20N2O5S |
| Smiles | O=C(CN(C(/C(/S1)=C/c2cc(Oc3ccccc3)ccc2)=O)C1=O)N1CCOCC1 |
| InChI | InChI=1S/C22H20N2O5S/c25-20(23-9-11-28-12-10-23)15-24-21(26)19(30-22(24)27)14-16-5-4-8-18(13-16)29-17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2 |
| InChIK | LVGXTDTZHRBLPD-UHFFFAOYSA-N |
| TotalMolweight | 424.476 |
| Molweight | 424.476 |
| MonoisotopicMass | 424.109293 |
| CLogP | 2.4571 |
| CLogS | -4.556 |
| H Acceptors | 7 |
| TotalSurfaceArea | 310.87 |
| Relative PSA | 0.26928 |
| PolarSurfaceArea | 101.45 |
| Druglikeness | 4.3523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione