(Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine
Formula:C22H23N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine |
| MolecularFormula | C22H23N3OS |
| Smiles | C(C/C1=C\c2ccccc2)C(/C=N\N=C/c2cccs2)=C1N1CCOCC1 |
| InChI | InChI=1S/C22H23N3OS/c1-2-5-18(6-3-1)15-19-8-9-20(22(19)25-10-12-26-13-11-25)16-23-24-17-21-7-4-14-27-21/h1-7,14-17H,8-13H2 |
| InChIK | SRIOMPBGIMDWLP-UHFFFAOYSA-N |
| TotalMolweight | 377.511 |
| Molweight | 377.511 |
| MonoisotopicMass | 377.156182 |
| CLogP | 5.2317 |
| CLogS | -4.708 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.97 |
| Relative PSA | 0.18853 |
| PolarSurfaceArea | 65.43 |
| Druglikeness | 4.0821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine | 2 - (Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine
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