2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C19H24N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C19H24N5OCl |
| Smiles | O=C(C[NH+]1CC[NH+](Cc(cc2)ccc2Cl)CC1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H22ClN5O/c20-18-3-1-17(2-4-18)14-24-9-11-25(12-10-24)15-19(26)23-22-13-16-5-7-21-8-6-16/h1-8,13H,9-12,14-15H2,(H,23,26)/p+2 |
| InChIK | QVILEVSFHKRABE-UHFFFAOYSA-P |
| TotalMolweight | 373.887 |
| Molweight | 373.887 |
| MonoisotopicMass | 373.166937 |
| CLogP | -2.0665 |
| CLogS | -2.507 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 318.91 |
| Relative PSA | 0.25763 |
| PolarSurfaceArea | 63.23 |
| Druglikeness | 4.0888 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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