2-(4-benzylpiperazin-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C24H26N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C24H26N4O |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H26N4O/c29-24(26-25-17-22-11-6-10-21-9-4-5-12-23(21)22)19-28-15-13-27(14-16-28)18-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2,(H,26,29) |
| InChIK | PYEZWZLUILWVRL-UHFFFAOYSA-N |
| TotalMolweight | 386.497 |
| Molweight | 386.497 |
| MonoisotopicMass | 386.210661 |
| CLogP | 3.7422 |
| CLogS | -4.172 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.25 |
| Relative PSA | 0.13851 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.3083 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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