(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine
Formula:C28H31N4OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine |
| MolecularFormula | C28H31N4OCl3 |
| Smiles | Clc1ccc(CN(CC2)CCN2/N=C\C(CC/C2=C\c(ccc(Cl)c3)c3Cl)=C2N2CCOCC2)cc1 |
| InChI | InChI=1S/C28H31Cl3N4O/c29-25-6-1-21(2-7-25)20-33-9-11-35(12-10-33)32-19-24-4-3-23(28(24)34-13-15-36-16-14-34)17-22-5-8-26(30)18-27(22)31/h1-2,5-8,17-19H,3-4,9-16,20H2 |
| InChIK | OKSVDXIPSVQXAH-UHFFFAOYSA-N |
| TotalMolweight | 545.94 |
| Molweight | 545.94 |
| MonoisotopicMass | 544.156342 |
| CLogP | 5.4165 |
| CLogS | -5.43 |
| H Acceptors | 5 |
| TotalSurfaceArea | 403.43 |
| Relative PSA | 0.079716 |
| PolarSurfaceArea | 31.31 |
| Druglikeness | 5.2615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine | 2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine
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