2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C18H24N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C18H24N4O2 |
| Smiles | O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H22N4O2/c23-18(20-19-13-17-7-4-12-24-17)15-22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2,(H,20,23)/p+2 |
| InChIK | MWSWWEJOYHZNOA-UHFFFAOYSA-P |
| TotalMolweight | 328.415 |
| Molweight | 328.415 |
| MonoisotopicMass | 328.189926 |
| CLogP | -2.4829 |
| CLogS | -2.248 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 294.42 |
| Relative PSA | 0.28972 |
| PolarSurfaceArea | 63.48 |
| Druglikeness | 3.9133 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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