N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
Formula:C22H23N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C22H23N5O5 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(Nc(cccc2)c2C(NC2CCCCC2)=O)=O)=O)ccc1)=O |
| InChI | InChI=1S/C22H23N5O5/c28-20(24-16-8-2-1-3-9-16)18-11-4-5-12-19(18)25-21(29)22(30)26-23-14-15-7-6-10-17(13-15)27(31)32/h4-7,10-14,16H,1-3,8-9H2,(H,24,28)(H,25,29)(H,26,30) |
| InChIK | YUYXOPYKJXNAJA-UHFFFAOYSA-N |
| TotalMolweight | 437.455 |
| Molweight | 437.455 |
| MonoisotopicMass | 437.16992 |
| CLogP | 2.2168 |
| CLogS | -5.564 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 336.88 |
| Relative PSA | 0.34264 |
| PolarSurfaceArea | 145.48 |
| Druglikeness | -5.6578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide | 2 - N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
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