N'-[(E)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
Formula:C20H17N4O5FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-N-(4-fluorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(E)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-N-(4-fluorophenyl)oxamide |
| MolecularFormula | C20H17N4O5FS |
| Smiles | O=C(C(N/N=C/c1ccc(CNS(c2ccccc2)(=O)=O)o1)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C20H17FN4O5S/c21-14-6-8-15(9-7-14)24-19(26)20(27)25-22-12-16-10-11-17(30-16)13-23-31(28,29)18-4-2-1-3-5-18/h1-12,23H,13H2,(H,24,26)(H,25,27) |
| InChIK | VLQNZIASLKHEBL-UHFFFAOYSA-N |
| TotalMolweight | 444.442 |
| Molweight | 444.442 |
| MonoisotopicMass | 444.090369 |
| CLogP | 2.0309 |
| CLogS | -4.421 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 325.8 |
| Relative PSA | 0.35193 |
| PolarSurfaceArea | 138.25 |
| Druglikeness | -1.4525 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(E)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-N-(4-fluorophenyl)oxamide | 2 - N'-[(E)-[5-(benzenesulfonamidomethyl)furan-2-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
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