N'-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
Formula:C26H21N4O6ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide |
| MolecularFormula | C26H21N4O6ClS |
| Smiles | O=C(C(N/N=C/c1ccc(CNS(c(cc2)ccc2Cl)(=O)=O)o1)=O)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C26H21ClN4O6S/c27-18-6-14-24(15-7-18)38(34,35)29-17-23-13-12-22(37-23)16-28-31-26(33)25(32)30-19-8-10-21(11-9-19)36-20-4-2-1-3-5-20/h1-16,29H,17H2,(H,30,32)(H,31,33) |
| InChIK | OHPHJCOGCSDKKA-UHFFFAOYSA-N |
| TotalMolweight | 552.994 |
| Molweight | 552.994 |
| MonoisotopicMass | 552.087033 |
| CLogP | 3.9317 |
| CLogS | -7.14 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 404.63 |
| Relative PSA | 0.30808 |
| PolarSurfaceArea | 147.48 |
| Druglikeness | 6.739 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide | 2 - N'-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
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