| MolName | 3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide |
| MolecularFormula | C29H32N4O2 |
| Smiles | O=C(CCN(CC1)CCN1C(c1ccccc1)c1ccccc1)NNC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C29H32N4O2/c34-27(17-16-24-10-4-1-5-11-24)30-31-28(35)18-19-32-20-22-33(23-21-32)29(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-17,29H,18-23H2,(H,30,34)(H,31,35) |
| InChIK | XFCJKZUDKOPNMT-UHFFFAOYSA-N |
| TotalMolweight | 468.599 |
| Molweight | 468.599 |
| MonoisotopicMass | 468.252526 |
| CLogP | 3.4632 |
| CLogS | -4.055 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 379.86 |
| Relative PSA | 0.14769 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | 7.2401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 12 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide | 2 - 3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide