2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C22H25N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C22H25N4OCl |
| Smiles | O=C(CN1CCN(Cc(cccc2)c2Cl)CC1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H25ClN4O/c23-21-11-5-4-10-20(21)17-26-13-15-27(16-14-26)18-22(28)25-24-12-6-9-19-7-2-1-3-8-19/h1-12H,13-18H2,(H,25,28) |
| InChIK | DWXLJHOSOZWCJF-UHFFFAOYSA-N |
| TotalMolweight | 396.921 |
| Molweight | 396.921 |
| MonoisotopicMass | 396.171688 |
| CLogP | 3.1721 |
| CLogS | -3.594 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.57 |
| Relative PSA | 0.13532 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.2418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| 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 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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