2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
Formula:C20H24N4OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H24N4OClF |
| Smiles | O=C(C[NH+]1CC[NH+](Cc(cc2)ccc2Cl)CC1)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C20H22ClFN4O/c21-18-7-5-16(6-8-18)14-25-9-11-26(12-10-25)15-20(27)24-23-13-17-3-1-2-4-19(17)22/h1-8,13H,9-12,14-15H2,(H,24,27)/p+2 |
| InChIK | DXVYYZQEJUDRFS-UHFFFAOYSA-P |
| TotalMolweight | 390.889 |
| Molweight | 390.889 |
| MonoisotopicMass | 390.162266 |
| CLogP | -0.9648 |
| CLogS | -3.616 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 326.5 |
| Relative PSA | 0.21804 |
| PolarSurfaceArea | 50.34 |
| Druglikeness | 2.7488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide | 2 - 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
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