N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C20H22N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C20H22N4OCl2 |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C20H22Cl2N4O/c21-18-6-4-16(5-7-18)14-25-8-10-26(11-9-25)15-20(27)24-23-13-17-2-1-3-19(22)12-17/h1-7,12-13H,8-11,14-15H2,(H,24,27) |
| InChIK | WGFRKXWKIPZUPX-UHFFFAOYSA-N |
| TotalMolweight | 405.328 |
| Molweight | 405.328 |
| MonoisotopicMass | 404.117065 |
| CLogP | 3.7598 |
| CLogS | -4.038 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 307.49 |
| Relative PSA | 0.1402 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.295 |
| 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 - N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide | 2 - N-[(Z)-(3-chlorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
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