N-[(Z)-benzylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
Formula:C20H25N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide |
| MolecularFormula | C20H25N4OCl |
| Smiles | O=C(C[NH+]1CC[NH+](Cc(cccc2)c2Cl)CC1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H23ClN4O/c21-19-9-5-4-8-18(19)15-24-10-12-25(13-11-24)16-20(26)23-22-14-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,23,26)/p+2 |
| InChIK | BJQNCAYYHYFXPN-UHFFFAOYSA-P |
| TotalMolweight | 372.899 |
| Molweight | 372.899 |
| MonoisotopicMass | 372.171688 |
| CLogP | -1.0656 |
| CLogS | -3.302 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 320.15 |
| Relative PSA | 0.22236 |
| PolarSurfaceArea | 50.34 |
| Druglikeness | 4.0888 |
| 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 | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
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