| MolName | N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C22H18N4O6S3 |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cccc2)c2NS(c2cccs2)(=O)=O)=O)o1)(=O)=O |
| InChI | InChI=1S/C22H18N4O6S3/c23-34(28,29)17-10-7-15(8-11-17)20-12-9-16(32-20)14-24-25-22(27)18-4-1-2-5-19(18)26-35(30,31)21-6-3-13-33-21/h1-14,26H,(H,25,27)(H2,23,28,29) |
| InChIK | VRAIBKIUQOWQLZ-UHFFFAOYSA-N |
| TotalMolweight | 530.605 |
| Molweight | 530.605 |
| MonoisotopicMass | 530.038846 |
| CLogP | 3.1927 |
| CLogS | -6.33 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 369.28 |
| Relative PSA | 0.41803 |
| PolarSurfaceArea | 205.93 |
| Druglikeness | 9.45 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide