N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-N'-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]heptanediamide
Formula:C31H30N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-N'-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]heptanediamide is not a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-N'-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]heptanediamide |
| MolecularFormula | C31H30N6O2 |
| Smiles | O=C(CCCCCC(N/N=C(/c1ccccc1)\c1ncccc1)=O)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C31H30N6O2/c38-28(34-36-30(24-14-4-1-5-15-24)26-18-10-12-22-32-26)20-8-3-9-21-29(39)35-37-31(25-16-6-2-7-17-25)27-19-11-13-23-33-27/h1-2,4-7,10-19,22-23H,3,8-9,20-21H2,(H,34,38)(H,35,39) |
| InChIK | QRHGULISLXKXII-UHFFFAOYSA-N |
| TotalMolweight | 518.619 |
| Molweight | 518.619 |
| MonoisotopicMass | 518.243024 |
| CLogP | 5.31 |
| CLogS | -7.478 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 423.22 |
| Relative PSA | 0.22201 |
| PolarSurfaceArea | 108.7 |
| Druglikeness | -5.1873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 12 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-N'-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]heptanediamide | 2 - N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-N'-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]heptanediamide
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