(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
Formula:C26H31N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C26H31N5O |
| Smiles | C(C/C1=C/c2ccccc2)C(/C=N\N(CC2)CCN2c2ncccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C26H31N5O/c1-2-6-22(7-3-1)20-23-9-10-24(26(23)30-16-18-32-19-17-30)21-28-31-14-12-29(13-15-31)25-8-4-5-11-27-25/h1-8,11,20-21H,9-10,12-19H2 |
| InChIK | TZECJAGSVQFBTH-UHFFFAOYSA-N |
| TotalMolweight | 429.566 |
| Molweight | 429.566 |
| MonoisotopicMass | 429.25286 |
| CLogP | 3.0261 |
| CLogS | -3.474 |
| H Acceptors | 6 |
| TotalSurfaceArea | 342.17 |
| Relative PSA | 0.12605 |
| PolarSurfaceArea | 44.2 |
| Druglikeness | 4.8427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 |
Click to Load Molecule:
1 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine | 2 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off