2-(1-benzofuran-2-yl)-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one
Formula:C26H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzofuran-2-yl)-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one is not a drug-like molecule.
| MolName | 2-(1-benzofuran-2-yl)-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one |
| MolecularFormula | C26H16N3O3Cl |
| Smiles | C#CCOc(cc1)c(/C=N\N(C(c2cc(cccc3)c3o2)=Nc2c3cccc2)C3=O)cc1Cl |
| InChI | InChI=1S/C26H16ClN3O3/c1-2-13-32-22-12-11-19(27)14-18(22)16-28-30-25(24-15-17-7-3-6-10-23(17)33-24)29-21-9-5-4-8-20(21)26(30)31/h1,3-12,14-16H,13H2 |
| InChIK | HTFINBYFRUCWKI-UHFFFAOYSA-N |
| TotalMolweight | 453.884 |
| Molweight | 453.884 |
| MonoisotopicMass | 453.088019 |
| CLogP | 5.1873 |
| CLogS | -7.361 |
| H Acceptors | 6 |
| TotalSurfaceArea | 342.34 |
| Relative PSA | 0.18613 |
| PolarSurfaceArea | 67.4 |
| Druglikeness | 3.8644 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| StereoCon |
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