| MolName | 3-(4-benzylpiperazin-1-yl)-N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]propanehydrazide |
| MolecularFormula | C23H27N4O2Br |
| Smiles | O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(/C=C/c1cccc(Br)c1)=O |
| InChI | InChI=1S/C23H27BrN4O2/c24-21-8-4-7-19(17-21)9-10-22(29)25-26-23(30)11-12-27-13-15-28(16-14-27)18-20-5-2-1-3-6-20/h1-10,17H,11-16,18H2,(H,25,29)(H,26,30) |
| InChIK | QBBMSNMOIIDHDK-UHFFFAOYSA-N |
| TotalMolweight | 471.397 |
| Molweight | 471.397 |
| MonoisotopicMass | 470.131737 |
| CLogP | 2.4726 |
| CLogS | -3.629 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 339.99 |
| Relative PSA | 0.165 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | 5.6156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-(4-benzylpiperazin-1-yl)-N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]propanehydrazide | 2 - 3-(4-benzylpiperazin-1-yl)-N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]propanehydrazide