N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
Formula:C22H23N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C22H23N4O3Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1Cl)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C22H23ClN4O3/c23-16-12-10-15(11-13-16)14-24-27-22(30)21(29)26-19-9-5-4-8-18(19)20(28)25-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,25,28)(H,26,29)(H,27,30) |
| InChIK | WXYBNFMONNROBZ-UHFFFAOYSA-N |
| TotalMolweight | 426.903 |
| Molweight | 426.903 |
| MonoisotopicMass | 426.145868 |
| CLogP | 3.7444 |
| CLogS | -5.84 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 328.63 |
| Relative PSA | 0.25868 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | -0.56135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
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