| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-difluorobenzamide |
| MolecularFormula | C19H14N2O3F2S |
| Smiles | O=C(c1cc(F)cc(F)c1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C19H14F2N2O3S/c20-14-9-13(10-15(21)11-14)17(24)22-6-7-23-18(25)16(27-19(23)26)8-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,22,24) |
| InChIK | HEVBSLIPZPIVHC-UHFFFAOYSA-N |
| TotalMolweight | 388.393 |
| Molweight | 388.393 |
| MonoisotopicMass | 388.069319 |
| CLogP | 2.8777 |
| CLogS | -4.652 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.95 |
| Relative PSA | 0.2586 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 4.3876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-difluorobenzamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,5-difluorobenzamide