3-bromo-N-[(Z)-[5-(4-oxo-3-phenylquinazolin-2-yl)sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C26H17N4O3BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-bromo-N-[(Z)-[5-(4-oxo-3-phenylquinazolin-2-yl)sulfanylfuran-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-[5-(4-oxo-3-phenylquinazolin-2-yl)sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C26H17N4O3BrS |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(o1)ccc1SC(N1c2ccccc2)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C26H17BrN4O3S/c27-18-8-6-7-17(15-18)24(32)30-28-16-20-13-14-23(34-20)35-26-29-22-12-5-4-11-21(22)25(33)31(26)19-9-2-1-3-10-19/h1-16H,(H,30,32) |
| InChIK | BDRJQDLNHQSENS-UHFFFAOYSA-N |
| TotalMolweight | 545.416 |
| Molweight | 545.416 |
| MonoisotopicMass | 544.020472 |
| CLogP | 5.9936 |
| CLogS | -8.047 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 369.84 |
| Relative PSA | 0.25879 |
| PolarSurfaceArea | 112.57 |
| Druglikeness | 5.737 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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