(Z)-1-(4-phenylmethoxyphenyl)-N-[4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]piperazin-1-yl]methanimine
Formula:C32H32N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-phenylmethoxyphenyl)-N-[4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]piperazin-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(4-phenylmethoxyphenyl)-N-[4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]piperazin-1-yl]methanimine |
| MolecularFormula | C32H32N4O2 |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\N(CC2)CCN2/N=C\c(cc2)ccc2OCc2ccccc2)cc1 |
| InChI | InChI=1S/C32H32N4O2/c1-3-7-29(8-4-1)25-37-31-15-11-27(12-16-31)23-33-35-19-21-36(22-20-35)34-24-28-13-17-32(18-14-28)38-26-30-9-5-2-6-10-30/h1-18,23-24H,19-22,25-26H2 |
| InChIK | IBPYAAGOZPGWRA-UHFFFAOYSA-N |
| TotalMolweight | 504.632 |
| Molweight | 504.632 |
| MonoisotopicMass | 504.252526 |
| CLogP | 5.9552 |
| CLogS | -5.972 |
| H Acceptors | 6 |
| TotalSurfaceArea | 411.72 |
| Relative PSA | 0.12173 |
| PolarSurfaceArea | 49.66 |
| Druglikeness | 4.7274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 10 |
| Symmetricatoms | 24 |
| StereoCon |
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1 - (Z)-1-(4-phenylmethoxyphenyl)-N-[4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]piperazin-1-yl]methanimine | 2 - (Z)-1-(4-phenylmethoxyphenyl)-N-[4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]piperazin-1-yl]methanimine
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