2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C20H22N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H22N5O3Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN2CCN(Cc(cc3)ccc3Cl)CC2)=O)cc1)=O |
| InChI | InChI=1S/C20H22ClN5O3/c21-18-5-1-17(2-6-18)14-24-9-11-25(12-10-24)15-20(27)23-22-13-16-3-7-19(8-4-16)26(28)29/h1-8,13H,9-12,14-15H2,(H,23,27) |
| InChIK | IPEAMBBCLFUPOO-UHFFFAOYSA-N |
| TotalMolweight | 415.88 |
| Molweight | 415.88 |
| MonoisotopicMass | 415.141117 |
| CLogP | 0.3792 |
| CLogS | -3.762 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 315.74 |
| Relative PSA | 0.23288 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 4.1423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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