4-fluoro-N-[(Z)-[5-(4-oxo-3-phenylquinazolin-2-yl)sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C26H17N4O3FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-fluoro-N-[(Z)-[5-(4-oxo-3-phenylquinazolin-2-yl)sulfanylfuran-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-[5-(4-oxo-3-phenylquinazolin-2-yl)sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C26H17N4O3FS |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c(o1)ccc1SC(N1c2ccccc2)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C26H17FN4O3S/c27-18-12-10-17(11-13-18)24(32)30-28-16-20-14-15-23(34-20)35-26-29-22-9-5-4-8-21(22)25(33)31(26)19-6-2-1-3-7-19/h1-16H,(H,30,32) |
| InChIK | MDJWYBSYFQHXQY-UHFFFAOYSA-N |
| TotalMolweight | 484.51 |
| Molweight | 484.51 |
| MonoisotopicMass | 484.100539 |
| CLogP | 5.3692 |
| CLogS | -7.527 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 357.56 |
| Relative PSA | 0.26768 |
| PolarSurfaceArea | 112.57 |
| Druglikeness | 6.187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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