(Z)-N-[4-[(2-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-[(2-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-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine |
| MolecularFormula | C28H31N4OCl3 |
| Smiles | Clc1cc(Cl)c(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N2CCN(Cc(cccc3)c3Cl)CC2)cc1 |
| InChI | InChI=1S/C28H31Cl3N4O/c29-25-8-7-21(27(31)18-25)17-22-5-6-23(28(22)34-13-15-36-16-14-34)19-32-35-11-9-33(10-12-35)20-24-3-1-2-4-26(24)30/h1-4,7-8,17-19H,5-6,9-16,20H2 |
| InChIK | KOXQOVQNAOFDBV-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 | 0.55556 |
| 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 | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine | 2 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine
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