4-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide
Formula:C22H16N6O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide is not a drug-like molecule.
| MolName | 4-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide |
| MolecularFormula | C22H16N6O3S2 |
| Smiles | O=S(c(cc1)ccc1-c1ccc(/C=N\Nc2nc(cccc3)c3s2)o1)(Nc1ncccn1)=O |
| InChI | InChI=1S/C22H16N6O3S2/c29-33(30,28-21-23-12-3-13-24-21)17-9-6-15(7-10-17)19-11-8-16(31-19)14-25-27-22-26-18-4-1-2-5-20(18)32-22/h1-14H,(H,26,27)(H,23,24,28) |
| InChIK | QJVIMPPWGRGGAD-UHFFFAOYSA-N |
| TotalMolweight | 476.54 |
| Molweight | 476.54 |
| MonoisotopicMass | 476.072529 |
| CLogP | 5.6876 |
| CLogS | -6.176 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 345.31 |
| Relative PSA | 0.3776 |
| PolarSurfaceArea | 158.99 |
| Druglikeness | 7.368 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide | 2 - 4-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide
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