(5Z)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
Formula:C22H25N3O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C22H25N3O7S |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cc2)ccc2OCC(N2CCOCC2)=O)=O)C1=O)N1CCOCC1 |
| InChI | InChI=1S/C22H25N3O7S/c26-19(23-5-9-30-10-6-23)14-25-21(28)18(33-22(25)29)13-16-1-3-17(4-2-16)32-15-20(27)24-7-11-31-12-8-24/h1-4,13H,5-12,14-15H2 |
| InChIK | RAQKGSHLUUIDBJ-UHFFFAOYSA-N |
| TotalMolweight | 475.521 |
| Molweight | 475.521 |
| MonoisotopicMass | 475.141322 |
| CLogP | 0.3107 |
| CLogS | -1.749 |
| H Acceptors | 10 |
| TotalSurfaceArea | 344.46 |
| Relative PSA | 0.32021 |
| PolarSurfaceArea | 130.99 |
| Druglikeness | 4.5097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
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