2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C22H20N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H20N3O4BrS |
| Smiles | Oc1cccc(/C=N\NC(CN(Cc2ccccc2)S(c(cc2)ccc2Br)(=O)=O)=O)c1 |
| InChI | InChI=1S/C22H20BrN3O4S/c23-19-9-11-21(12-10-19)31(29,30)26(15-17-5-2-1-3-6-17)16-22(28)25-24-14-18-7-4-8-20(27)13-18/h1-14,27H,15-16H2,(H,25,28) |
| InChIK | MQUDNBJMGUGQGA-UHFFFAOYSA-N |
| TotalMolweight | 502.388 |
| Molweight | 502.388 |
| MonoisotopicMass | 501.035788 |
| CLogP | 3.8627 |
| CLogS | -4.483 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 338.13 |
| Relative PSA | 0.24026 |
| PolarSurfaceArea | 107.45 |
| Druglikeness | 5.1405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
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