N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide
Formula:C22H16N4O3Br2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide |
| MolecularFormula | C22H16N4O3Br2 |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Br)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H16Br2N4O3/c23-15-9-11-16(12-10-15)26-20(29)17-6-2-4-8-19(17)27-21(30)22(31)28-25-13-14-5-1-3-7-18(14)24/h1-13H,(H,26,29)(H,27,30)(H,28,31) |
| InChIK | LKZBSXQEVDTUTL-UHFFFAOYSA-N |
| TotalMolweight | 544.202 |
| Molweight | 544.202 |
| MonoisotopicMass | 541.958913 |
| CLogP | 4.7418 |
| CLogS | -6.705 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 342.43 |
| Relative PSA | 0.24826 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 1.9578 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-bromophenyl)methylideneamino]oxamide
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