2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
Formula:C20H15N2O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C20H15N2O5FS |
| Smiles | O=C(CN(C(/C(/S1)=C\c(cc2)cc3c2OCCO3)=O)C1=O)Nc(cccc1)c1F |
| InChI | InChI=1S/C20H15FN2O5S/c21-13-3-1-2-4-14(13)22-18(24)11-23-19(25)17(29-20(23)26)10-12-5-6-15-16(9-12)28-8-7-27-15/h1-6,9-10H,7-8,11H2,(H,22,24) |
| InChIK | HUQCAPOIDXILAR-UHFFFAOYSA-N |
| TotalMolweight | 414.412 |
| Molweight | 414.412 |
| MonoisotopicMass | 414.068571 |
| CLogP | 2.6143 |
| CLogS | -4.557 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.86 |
| Relative PSA | 0.315 |
| PolarSurfaceArea | 110.24 |
| Druglikeness | -3.2673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide | 2 - 2-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
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