2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C22H26N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C22H26N4O |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H26N4O/c27-22(24-23-13-7-12-20-8-3-1-4-9-20)19-26-16-14-25(15-17-26)18-21-10-5-2-6-11-21/h1-13H,14-19H2,(H,24,27) |
| InChIK | UECDLYDMSLAUBB-UHFFFAOYSA-N |
| TotalMolweight | 362.475 |
| Molweight | 362.475 |
| MonoisotopicMass | 362.210661 |
| CLogP | 2.5661 |
| CLogS | -2.858 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.15 |
| Relative PSA | 0.14221 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.2441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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