| MolName | 2-[2-[(Z)-[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetamide |
| MolecularFormula | C25H18N4O4 |
| Smiles | NC(COc1c(/C=N\N(C(c2cc(cccc3)c3o2)=Nc2c3cccc2)C3=O)cccc1)=O |
| InChI | InChI=1S/C25H18N4O4/c26-23(30)15-32-20-11-5-2-8-17(20)14-27-29-24(22-13-16-7-1-6-12-21(16)33-22)28-19-10-4-3-9-18(19)25(29)31/h1-14H,15H2,(H2,26,30) |
| InChIK | MVKHTTRYCXYQQK-UHFFFAOYSA-N |
| TotalMolweight | 438.442 |
| Molweight | 438.442 |
| MonoisotopicMass | 438.132806 |
| CLogP | 3.2863 |
| CLogS | -5.852 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 329.38 |
| Relative PSA | 0.2794 |
| PolarSurfaceArea | 110.49 |
| Druglikeness | 4.3499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetamide | 2 - 2-[2-[(Z)-[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetamide