2-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C27H30N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H30N4O2 |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C27H30N4O2/c32-27(21-31-17-15-30(16-18-31)20-24-7-3-1-4-8-24)29-28-19-23-11-13-26(14-12-23)33-22-25-9-5-2-6-10-25/h1-14,19H,15-18,20-22H2,(H,29,32) |
| InChIK | UOCHCUIVHIOHSQ-UHFFFAOYSA-N |
| TotalMolweight | 442.561 |
| Molweight | 442.561 |
| MonoisotopicMass | 442.236876 |
| CLogP | 3.8959 |
| CLogS | -3.907 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.17 |
| Relative PSA | 0.14746 |
| PolarSurfaceArea | 57.17 |
| Druglikeness | 8.8892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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