| MolName | 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylacetamide |
| MolecularFormula | C19H15N4O3FS |
| Smiles | NC(NC(CSC(N(C1=O)c(cc2)ccc2F)=N/C1=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C19H15FN4O3S/c20-13-6-8-14(9-7-13)24-17(26)15(10-12-4-2-1-3-5-12)22-19(24)28-11-16(25)23-18(21)27/h1-10H,11H2,(H3,21,23,25,27) |
| InChIK | GSDKHQYRALKFPF-UHFFFAOYSA-N |
| TotalMolweight | 398.417 |
| Molweight | 398.417 |
| MonoisotopicMass | 398.084889 |
| CLogP | 1.8831 |
| CLogS | -5.462 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 288.33 |
| Relative PSA | 0.34128 |
| PolarSurfaceArea | 130.16 |
| Druglikeness | 3.4325 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylacetamide | 2 - 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylacetamide