| MolName | N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide |
| MolecularFormula | C18H17N4O4Cl |
| Smiles | NC(COc1ccc(/C=N\NC(C(NCc(cc2)ccc2Cl)=O)=O)cc1)=O |
| InChI | InChI=1S/C18H17ClN4O4/c19-14-5-1-12(2-6-14)9-21-17(25)18(26)23-22-10-13-3-7-15(8-4-13)27-11-16(20)24/h1-8,10H,9,11H2,(H2,20,24)(H,21,25)(H,23,26) |
| InChIK | KABAKQNAKCXJHT-UHFFFAOYSA-N |
| TotalMolweight | 388.81 |
| Molweight | 388.81 |
| MonoisotopicMass | 388.093833 |
| CLogP | 1.1215 |
| CLogS | -3.946 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 295.41 |
| Relative PSA | 0.33452 |
| PolarSurfaceArea | 122.88 |
| Druglikeness | 4.2395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide | 2 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(4-chlorophenyl)methyl]oxamide