2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C26H27N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C26H27N4OCl |
| Smiles | O=C(CN1CCN(Cc(cccc2)c2Cl)CC1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C26H27ClN4O/c27-25-9-5-4-8-24(25)19-30-14-16-31(17-15-30)20-26(32)29-28-18-21-10-12-23(13-11-21)22-6-2-1-3-7-22/h1-13,18H,14-17,19-20H2,(H,29,32) |
| InChIK | BARXBKZNJCXIFN-UHFFFAOYSA-N |
| TotalMolweight | 446.98 |
| Molweight | 446.98 |
| MonoisotopicMass | 446.187338 |
| CLogP | 4.813 |
| CLogS | -5.388 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.83 |
| Relative PSA | 0.12253 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.295 |
| 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 | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide | 2 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
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