2-[(5E)-2,4-dioxo-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide
Formula:C25H21N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(5E)-2,4-dioxo-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide is a drug-like molecule.
| MolName | 2-[(5E)-2,4-dioxo-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide |
| MolecularFormula | C25H21N3O6S |
| Smiles | O=C(CN(C(/C(/S1)=C\C2=Cc(cccc3)c3OC2=O)=O)C1=O)Nc(cccc1)c1N1CCOCC1 |
| InChI | InChI=1S/C25H21N3O6S/c29-22(26-18-6-2-3-7-19(18)27-9-11-33-12-10-27)15-28-23(30)21(35-25(28)32)14-17-13-16-5-1-4-8-20(16)34-24(17)31/h1-8,13-14H,9-12,15H2,(H,26,29) |
| InChIK | KYBKIRIPRMCVEX-UHFFFAOYSA-N |
| TotalMolweight | 491.523 |
| Molweight | 491.523 |
| MonoisotopicMass | 491.115107 |
| CLogP | 2.0477 |
| CLogS | -4.446 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 351.29 |
| Relative PSA | 0.30804 |
| PolarSurfaceArea | 130.55 |
| Druglikeness | 4.8645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(5E)-2,4-dioxo-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide | 2 - 2-[(5E)-2,4-dioxo-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide
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