| MolName | 3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide |
| MolecularFormula | C27H30N4O3 |
| Smiles | O=C(CCN(CC1)CCN1C(c1ccccc1)c1ccccc1)NNC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C27H30N4O3/c32-25(14-13-24-12-7-21-34-24)28-29-26(33)15-16-30-17-19-31(20-18-30)27(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-14,21,27H,15-20H2,(H,28,32)(H,29,33) |
| InChIK | QVJZDOFJYALNFP-UHFFFAOYSA-N |
| TotalMolweight | 458.56 |
| Molweight | 458.56 |
| MonoisotopicMass | 458.231791 |
| CLogP | 2.6519 |
| CLogS | -3.737 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 369.55 |
| Relative PSA | 0.18999 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | 6.8382 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide | 2 - 3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide