N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Formula:C27H21N2O6FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is not a drug-like molecule.
| MolName | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide |
| MolecularFormula | C27H21N2O6FS |
| Smiles | O=C(CN(C(/C(/S1)=C\c2cc(OCc(cccc3)c3F)ccc2)=O)C1=O)Nc(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C27H21FN2O6S/c28-21-7-2-1-5-18(21)16-36-20-6-3-4-17(12-20)13-24-26(32)30(27(33)37-24)15-25(31)29-19-8-9-22-23(14-19)35-11-10-34-22/h1-9,12-14H,10-11,15-16H2,(H,29,31) |
| InChIK | BLJSETNCPZKLMQ-UHFFFAOYSA-N |
| TotalMolweight | 520.536 |
| Molweight | 520.536 |
| MonoisotopicMass | 520.110436 |
| CLogP | 3.9624 |
| CLogS | -5.898 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 374.38 |
| Relative PSA | 0.27144 |
| PolarSurfaceArea | 119.47 |
| Druglikeness | -3.2673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
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