2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C24H27N4OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C24H27N4OCl |
| Smiles | O=C(C[NH+]1CC[NH+](Cc(cccc2)c2Cl)CC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H25ClN4O/c25-23-11-4-2-7-21(23)17-28-12-14-29(15-13-28)18-24(30)27-26-16-20-9-5-8-19-6-1-3-10-22(19)20/h1-11,16H,12-15,17-18H2,(H,27,30)/p+2 |
| InChIK | BDEUDPVCYGBVCA-UHFFFAOYSA-P |
| TotalMolweight | 422.958 |
| Molweight | 422.958 |
| MonoisotopicMass | 422.187338 |
| CLogP | 0.1288 |
| CLogS | -4.908 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 354.75 |
| Relative PSA | 0.20068 |
| PolarSurfaceArea | 50.34 |
| Druglikeness | 4.0888 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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