| MolName | N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]heptanediamide |
| MolecularFormula | C25H28N4O2 |
| Smiles | O=C(CCCCCC(N/N=C\C=C\c1ccccc1)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C25H28N4O2/c30-24(28-26-20-10-16-22-12-4-1-5-13-22)18-8-3-9-19-25(31)29-27-21-11-17-23-14-6-2-7-15-23/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2,(H,28,30)(H,29,31) |
| InChIK | YFDPZPXPTJZRCW-UHFFFAOYSA-N |
| TotalMolweight | 416.523 |
| Molweight | 416.523 |
| MonoisotopicMass | 416.221226 |
| CLogP | 4.847 |
| CLogS | -6.052 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 362.76 |
| Relative PSA | 0.19853 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -4.0823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.80645 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 12 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]heptanediamide | 2 - N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]heptanediamide