N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C22H17N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C22H17N3O4 |
| Smiles | NC(COc1ccc(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)cc1)=O |
| InChI | InChI=1S/C22H17N3O4/c23-21(26)13-28-16-8-5-14(6-9-16)12-24-25-22(27)20-11-18-17-4-2-1-3-15(17)7-10-19(18)29-20/h1-12H,13H2,(H2,23,26)(H,25,27) |
| InChIK | UUMLEVRPTZNQHP-UHFFFAOYSA-N |
| TotalMolweight | 387.394 |
| Molweight | 387.394 |
| MonoisotopicMass | 387.121907 |
| CLogP | 3.5638 |
| CLogS | -6.379 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 295.91 |
| Relative PSA | 0.29884 |
| PolarSurfaceArea | 106.92 |
| Druglikeness | 5.0248 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide | 2 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off