N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
Formula:C23H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide |
| MolecularFormula | C23H19N4O4Cl |
| Smiles | O=C(COc1cccc(/C=N\NC(C(Nc(cccc2)c2Cl)=O)=O)c1)Nc1ccccc1 |
| InChI | InChI=1S/C23H19ClN4O4/c24-19-11-4-5-12-20(19)27-22(30)23(31)28-25-14-16-7-6-10-18(13-16)32-15-21(29)26-17-8-2-1-3-9-17/h1-14H,15H2,(H,26,29)(H,27,30)(H,28,31) |
| InChIK | PFDKNPVPILQIPY-UHFFFAOYSA-N |
| TotalMolweight | 450.881 |
| Molweight | 450.881 |
| MonoisotopicMass | 450.109483 |
| CLogP | 3.4723 |
| CLogS | -5.553 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 344.35 |
| Relative PSA | 0.27591 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 3.5754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide | 2 - N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
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