2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C26H27N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C26H27N4O2Cl |
| Smiles | O=C(CN1CCN(Cc(cccc2)c2Cl)CC1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C26H27ClN4O2/c27-25-12-5-4-8-22(25)19-30-13-15-31(16-14-30)20-26(32)29-28-18-21-7-6-11-24(17-21)33-23-9-2-1-3-10-23/h1-12,17-18H,13-16,19-20H2,(H,29,32) |
| InChIK | YAGUPLQNESTRAC-UHFFFAOYSA-N |
| TotalMolweight | 462.979 |
| Molweight | 462.979 |
| MonoisotopicMass | 462.182253 |
| CLogP | 4.5494 |
| CLogS | -5.599 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.83 |
| Relative PSA | 0.14678 |
| PolarSurfaceArea | 57.17 |
| Druglikeness | 9.1561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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