2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C20H25N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H25N4OF |
| Smiles | O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C20H23FN4O/c21-19-8-6-17(7-9-19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,23,26)/p+2 |
| InChIK | GUQOFCNHINOVLI-UHFFFAOYSA-P |
| TotalMolweight | 356.444 |
| Molweight | 356.444 |
| MonoisotopicMass | 356.201239 |
| CLogP | -1.5708 |
| CLogS | -2.88 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 311.08 |
| Relative PSA | 0.22885 |
| PolarSurfaceArea | 50.34 |
| Druglikeness | 2.727 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| 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 | 8 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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