2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C20H26N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C20H26N4O2 |
| Smiles | Oc1cccc(/C=N\NC(C[NH+]2CC[NH+](Cc3ccccc3)CC2)=O)c1 |
| InChI | InChI=1S/C20H24N4O2/c25-19-8-4-7-18(13-19)14-21-22-20(26)16-24-11-9-23(10-12-24)15-17-5-2-1-3-6-17/h1-8,13-14,25H,9-12,15-16H2,(H,22,26)/p+2 |
| InChIK | PAULTJLCXCBRGJ-UHFFFAOYSA-P |
| TotalMolweight | 354.452 |
| Molweight | 354.452 |
| MonoisotopicMass | 354.205576 |
| CLogP | -2.0173 |
| CLogS | -2.27 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 311.08 |
| Relative PSA | 0.27096 |
| PolarSurfaceArea | 70.57 |
| Druglikeness | 4.0398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off