3-(4-benzylpiperazin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
Formula:C19H24N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4-benzylpiperazin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-benzylpiperazin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide |
| MolecularFormula | C19H24N4O2 |
| Smiles | O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H24N4O2/c24-19(21-20-15-18-7-4-14-25-18)8-9-22-10-12-23(13-11-22)16-17-5-2-1-3-6-17/h1-7,14-15H,8-13,16H2,(H,21,24) |
| InChIK | VWGYQTUJIXGUIY-UHFFFAOYSA-N |
| TotalMolweight | 340.426 |
| Molweight | 340.426 |
| MonoisotopicMass | 340.189926 |
| CLogP | 2.1909 |
| CLogS | -2.518 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.1 |
| Relative PSA | 0.20428 |
| PolarSurfaceArea | 61.08 |
| Druglikeness | 10.021 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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