2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
Formula:C20H22N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H22N4OBrF |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C20H22BrFN4O/c21-18-6-7-19(22)17(12-18)13-23-24-20(27)15-26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,27) |
| InChIK | BVRBVZNWLMVORV-UHFFFAOYSA-N |
| TotalMolweight | 433.324 |
| Molweight | 433.324 |
| MonoisotopicMass | 432.0961 |
| CLogP | 3.3738 |
| CLogS | -3.714 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.63 |
| Relative PSA | 0.14292 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 6.1783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide | 2 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
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