N,N'-bis[(Z)-benzylideneamino]octanediamide
Formula:C22H26N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-benzylideneamino]octanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-benzylideneamino]octanediamide |
| MolecularFormula | C22H26N4O2 |
| Smiles | O=C(CCCCCCC(N/N=C\c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H26N4O2/c27-21(25-23-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(28)26-24-18-20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2,(H,25,27)(H,26,28) |
| InChIK | LDWMFPRPPWASFX-UHFFFAOYSA-N |
| TotalMolweight | 378.474 |
| Molweight | 378.474 |
| MonoisotopicMass | 378.205576 |
| CLogP | 5.2648 |
| CLogS | -5.738 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 323.52 |
| Relative PSA | 0.22261 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -4.1295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - N,N'-bis[(Z)-benzylideneamino]octanediamide | 2 - N,N'-bis[(Z)-benzylideneamino]octanediamide
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