N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Formula:C22H17N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C22H17N4O3Br |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Br)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C22H17BrN4O3/c23-18-12-6-4-8-15(18)14-24-27-22(30)21(29)26-19-13-7-5-11-17(19)20(28)25-16-9-2-1-3-10-16/h1-14H,(H,25,28)(H,26,29)(H,27,30) |
| InChIK | DXZDYSFMQCVFSQ-UHFFFAOYSA-N |
| TotalMolweight | 465.306 |
| Molweight | 465.306 |
| MonoisotopicMass | 464.048402 |
| CLogP | 4.0166 |
| CLogS | -5.871 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 323.8 |
| Relative PSA | 0.26254 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 1.9578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
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