2-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]isoindole-1,3-dione
Formula:C21H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C21H19N3O5 |
| Smiles | O=C(COc1ccc(/C=N\N(C(c2c3cccc2)=O)C3=O)cc1)N1CCOCC1 |
| InChI | InChI=1S/C21H19N3O5/c25-19(23-9-11-28-12-10-23)14-29-16-7-5-15(6-8-16)13-22-24-20(26)17-3-1-2-4-18(17)21(24)27/h1-8,13H,9-12,14H2 |
| InChIK | SCZOSWJLEIMNMM-UHFFFAOYSA-N |
| TotalMolweight | 393.398 |
| Molweight | 393.398 |
| MonoisotopicMass | 393.132472 |
| CLogP | 1.9009 |
| CLogS | -3.072 |
| H Acceptors | 8 |
| TotalSurfaceArea | 293.43 |
| Relative PSA | 0.2649 |
| PolarSurfaceArea | 88.51 |
| Druglikeness | 5.1779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]isoindole-1,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off