(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
Formula:C26H30N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C26H30N5OCl |
| Smiles | Clc1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N(CC2)CCN2c2ncccc2)cc1 |
| InChI | InChI=1S/C26H30ClN5O/c27-24-8-4-21(5-9-24)19-22-6-7-23(26(22)31-15-17-33-18-16-31)20-29-32-13-11-30(12-14-32)25-3-1-2-10-28-25/h1-5,8-10,19-20H,6-7,11-18H2 |
| InChIK | AZVALAWTQMIOHH-UHFFFAOYSA-N |
| TotalMolweight | 464.011 |
| Molweight | 464.011 |
| MonoisotopicMass | 463.213887 |
| CLogP | 3.6321 |
| CLogS | -4.21 |
| H Acceptors | 6 |
| TotalSurfaceArea | 357.59 |
| Relative PSA | 0.12061 |
| PolarSurfaceArea | 44.2 |
| Druglikeness | 4.8596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine | 2 - (Z)-1-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
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