2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C26H28N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C26H28N4O2 |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C26H28N4O2/c31-26(21-30-16-14-29(15-17-30)20-22-8-3-1-4-9-22)28-27-19-23-10-7-13-25(18-23)32-24-11-5-2-6-12-24/h1-13,18-19H,14-17,20-21H2,(H,28,31) |
| InChIK | OJXKNYPBVVAKTE-UHFFFAOYSA-N |
| TotalMolweight | 428.534 |
| Molweight | 428.534 |
| MonoisotopicMass | 428.221226 |
| CLogP | 3.9434 |
| CLogS | -4.863 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 346.41 |
| Relative PSA | 0.15332 |
| PolarSurfaceArea | 57.17 |
| Druglikeness | 9.1606 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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