N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide
Formula:C28H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C28H22N2O3 |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccccc2)=O)cc1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C28H22N2O3/c31-27(24-15-13-23(14-16-24)22-7-3-1-4-8-22)20-33-26-17-11-21(12-18-26)19-29-30-28(32)25-9-5-2-6-10-25/h1-19H,20H2,(H,30,32) |
| InChIK | MSZCAAOSSUTYEA-UHFFFAOYSA-N |
| TotalMolweight | 434.494 |
| Molweight | 434.494 |
| MonoisotopicMass | 434.163043 |
| CLogP | 5.7507 |
| CLogS | -7.441 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.02 |
| Relative PSA | 0.16967 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide | 2 - N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off