(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(2-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-[(2-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-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine |
| MolecularFormula | C28H32N4OCl2 |
| Smiles | Clc1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N2CCN(Cc(cccc3)c3Cl)CC2)cc1 |
| InChI | InChI=1S/C28H32Cl2N4O/c29-26-9-5-22(6-10-26)19-23-7-8-24(28(23)33-15-17-35-18-16-33)20-31-34-13-11-32(12-14-34)21-25-3-1-2-4-27(25)30/h1-6,9-10,19-20H,7-8,11-18,21H2 |
| InChIK | OKAMUZXZDNGDNC-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 | 0.57143 |
| 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 | 6 |
| 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-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine | 2 - (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
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