2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C27H29N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H29N4O2Cl |
| Smiles | O=C(CN1CCN(Cc(cccc2)c2Cl)CC1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H29ClN4O2/c28-26-12-5-4-10-24(26)19-31-13-15-32(16-14-31)20-27(33)30-29-18-23-9-6-11-25(17-23)34-21-22-7-2-1-3-8-22/h1-12,17-18H,13-16,19-21H2,(H,30,33) |
| InChIK | WJJLQRDLIWNLPX-UHFFFAOYSA-N |
| TotalMolweight | 477.006 |
| Molweight | 477.006 |
| MonoisotopicMass | 476.197903 |
| CLogP | 4.5019 |
| CLogS | -4.643 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 375.59 |
| Relative PSA | 0.1414 |
| PolarSurfaceArea | 57.17 |
| Druglikeness | 8.8941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| 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-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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