| MolName | (E)-3-[4-[[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid |
| MolecularFormula | C23H17N3O6S |
| Smiles | OC(/C=C/c(cc1)ccc1S(NN(C1=O)C(c2ccccc2)=N/C1=C\c1ccco1)(=O)=O)=O |
| InChI | InChI=1S/C23H17N3O6S/c27-21(28)13-10-16-8-11-19(12-9-16)33(30,31)25-26-22(17-5-2-1-3-6-17)24-20(23(26)29)15-18-7-4-14-32-18/h1-15,25H,(H,27,28) |
| InChIK | ZPCKYZVGSXXRDJ-UHFFFAOYSA-N |
| TotalMolweight | 463.469 |
| Molweight | 463.469 |
| MonoisotopicMass | 463.083807 |
| CLogP | 0.7948 |
| CLogS | -3.227 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 335.34 |
| Relative PSA | 0.32322 |
| PolarSurfaceArea | 137.66 |
| Druglikeness | 6.215 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[4-[[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid | 2 - (E)-3-[4-[[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid