N-(4-bromophenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
Formula:C22H18N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C22H18N3O3Br |
| Smiles | O=C(C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C22H18BrN3O3/c23-18-9-11-19(12-10-18)25-21(27)22(28)26-24-14-17-7-4-8-20(13-17)29-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,27)(H,26,28) |
| InChIK | QTXJZWGLAADOHF-UHFFFAOYSA-N |
| TotalMolweight | 452.307 |
| Molweight | 452.307 |
| MonoisotopicMass | 451.053153 |
| CLogP | 4.2172 |
| CLogS | -5.7 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 318.35 |
| Relative PSA | 0.22149 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.5936 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
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