| MolName | 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide |
| MolecularFormula | C24H16N3O2F3S |
| Smiles | O=C(CSC(N(C1=O)c(cc2)ccc2F)=N/C1=C/c1ccccc1)Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C24H16F3N3O2S/c25-16-6-9-18(10-7-16)30-23(32)21(12-15-4-2-1-3-5-15)29-24(30)33-14-22(31)28-20-11-8-17(26)13-19(20)27/h1-13H,14H2,(H,28,31) |
| InChIK | ADHBHTKFWLVPIM-UHFFFAOYSA-N |
| TotalMolweight | 467.47 |
| Molweight | 467.47 |
| MonoisotopicMass | 467.091531 |
| CLogP | 4.3592 |
| CLogS | -7.052 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.52 |
| Relative PSA | 0.20952 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 2.6749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide | 2 - 2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide