N'-[(Z)-benzylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
Formula:C22H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C22H24N4O3 |
| Smiles | O=C(C(N/N=C\c1ccccc1)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C22H24N4O3/c27-20(24-17-11-5-2-6-12-17)18-13-7-8-14-19(18)25-21(28)22(29)26-23-15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2,(H,24,27)(H,25,28)(H,26,29) |
| InChIK | GXLSUQUWMLZVHT-UHFFFAOYSA-N |
| TotalMolweight | 392.458 |
| Molweight | 392.458 |
| MonoisotopicMass | 392.184841 |
| CLogP | 3.1384 |
| CLogS | -5.104 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 313.21 |
| Relative PSA | 0.27142 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | -0.59238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-benzylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-benzylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
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