N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenylbutanediamide
Formula:C18H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenylbutanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenylbutanediamide |
| MolecularFormula | C18H16N4O2 |
| Smiles | N#Cc1ccc(/C=N\NC(CCC(Nc2ccccc2)=O)=O)cc1 |
| InChI | InChI=1S/C18H16N4O2/c19-12-14-6-8-15(9-7-14)13-20-22-18(24)11-10-17(23)21-16-4-2-1-3-5-16/h1-9,13H,10-11H2,(H,21,23)(H,22,24) |
| InChIK | KXLQCAZBCCKKFL-UHFFFAOYSA-N |
| TotalMolweight | 320.351 |
| Molweight | 320.351 |
| MonoisotopicMass | 320.127326 |
| CLogP | 2.8883 |
| CLogS | -4.838 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.43 |
| Relative PSA | 0.27906 |
| PolarSurfaceArea | 94.35 |
| Druglikeness | -0.69504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenylbutanediamide | 2 - N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenylbutanediamide
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