(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
Formula:C28H33N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine |
| MolecularFormula | C28H33N4OCl |
| Smiles | Clc1ccc(CN(CC2)CCN2/N=C\C(CC/C2=C/c3ccccc3)=C2N2CCOCC2)cc1 |
| InChI | InChI=1S/C28H33ClN4O/c29-27-10-6-24(7-11-27)22-31-12-14-33(15-13-31)30-21-26-9-8-25(20-23-4-2-1-3-5-23)28(26)32-16-18-34-19-17-32/h1-7,10-11,20-21H,8-9,12-19,22H2 |
| InChIK | JCEJJDVMVUYGNC-UHFFFAOYSA-N |
| TotalMolweight | 477.05 |
| Molweight | 477.05 |
| MonoisotopicMass | 476.234288 |
| CLogP | 4.2045 |
| CLogS | -3.958 |
| H Acceptors | 5 |
| TotalSurfaceArea | 372.59 |
| Relative PSA | 0.086315 |
| PolarSurfaceArea | 31.31 |
| Druglikeness | 5.2615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine | 2 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
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