(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
Formula:C28H32N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine |
| MolecularFormula | C28H32N4OCl2 |
| Smiles | Clc1ccc(CN(CC2)CCN2/N=C\C(CC/C2=C\c(cc3)ccc3Cl)=C2N2CCOCC2)cc1 |
| InChI | InChI=1S/C28H32Cl2N4O/c29-26-7-1-22(2-8-26)19-24-5-6-25(28(24)33-15-17-35-18-16-33)20-31-34-13-11-32(12-14-34)21-23-3-9-27(30)10-4-23/h1-4,7-10,19-20H,5-6,11-18,21H2 |
| InChIK | XMPUAUZJSWDTHH-UHFFFAOYSA-N |
| TotalMolweight | 511.495 |
| Molweight | 511.495 |
| MonoisotopicMass | 510.195315 |
| CLogP | 4.8105 |
| CLogS | -4.694 |
| H Acceptors | 5 |
| TotalSurfaceArea | 388.01 |
| Relative PSA | 0.082884 |
| PolarSurfaceArea | 31.31 |
| Druglikeness | 5.2615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine | 2 - (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
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