| MolName | N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C22H15N4O3Cl3 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H15Cl3N4O3/c23-14-7-9-16(10-8-14)27-20(30)17-3-1-2-4-19(17)28-21(31)22(32)29-26-12-13-5-6-15(24)11-18(13)25/h1-12H,(H,27,30)(H,28,31)(H,29,32) |
| InChIK | KPJWIXVNFIPWEF-UHFFFAOYSA-N |
| TotalMolweight | 489.745 |
| Molweight | 489.745 |
| MonoisotopicMass | 488.020972 |
| CLogP | 5.1094 |
| CLogS | -7.245 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 351.43 |
| Relative PSA | 0.2419 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide | 2 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide