| MolName | (5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C26H17N2O2IS |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C/c2ccc(-c(cc3)ccc3I)o2)N1c1ccccc1 |
| InChI | InChI=1S/C26H17IN2O2S/c27-19-13-11-18(12-14-19)23-16-15-22(31-23)17-24-25(30)29(21-9-5-2-6-10-21)26(32-24)28-20-7-3-1-4-8-20/h1-17H |
| InChIK | MXTQTNRUGUGBGO-UHFFFAOYSA-N |
| TotalMolweight | 548.399 |
| Molweight | 548.399 |
| MonoisotopicMass | 548.005546 |
| CLogP | 6.054 |
| CLogS | -8.326 |
| H Acceptors | 4 |
| TotalSurfaceArea | 348.23 |
| Relative PSA | 0.17144 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | 4.7231 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one