| MolName | 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide |
| MolecularFormula | C22H18N4O5S2 |
| Smiles | NS(c(cc1)ccc1NC(CSC(N(C1=O)c2ccccc2)=N/C1=C\c1ccco1)=O)(=O)=O |
| InChI | InChI=1S/C22H18N4O5S2/c23-33(29,30)18-10-8-15(9-11-18)24-20(27)14-32-22-25-19(13-17-7-4-12-31-17)21(28)26(22)16-5-2-1-3-6-16/h1-13H,14H2,(H,24,27)(H2,23,29,30) |
| InChIK | NOOGSSDHPGUPFA-UHFFFAOYSA-N |
| TotalMolweight | 482.54 |
| Molweight | 482.54 |
| MonoisotopicMass | 482.071861 |
| CLogP | 2.0095 |
| CLogS | -5.691 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 342.26 |
| Relative PSA | 0.37413 |
| PolarSurfaceArea | 168.75 |
| Druglikeness | 6.9962 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 3 |
| StereoCon |
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1 - 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide | 2 - 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide