2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Formula:C20H24N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C20H24N4O2 |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C20H24N4O2/c25-20(22-21-10-4-8-19-9-5-15-26-19)17-24-13-11-23(12-14-24)16-18-6-2-1-3-7-18/h1-10,15H,11-14,16-17H2,(H,22,25) |
| InChIK | GJORQZSZENSKHG-UHFFFAOYSA-N |
| TotalMolweight | 352.437 |
| Molweight | 352.437 |
| MonoisotopicMass | 352.189926 |
| CLogP | 1.7548 |
| CLogS | -2.54 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.84 |
| Relative PSA | 0.1954 |
| PolarSurfaceArea | 61.08 |
| Druglikeness | 8.8147 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
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