2-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]quinazolin-4-amine
Formula:C21H14N4BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C21H14N4BrF |
| Smiles | Fc1ccc(/C=N\Nc2nc(-c(cc3)ccc3Br)nc3ccccc23)cc1 |
| InChI | InChI=1S/C21H14BrFN4/c22-16-9-7-15(8-10-16)20-25-19-4-2-1-3-18(19)21(26-20)27-24-13-14-5-11-17(23)12-6-14/h1-13H,(H,25,26,27) |
| InChIK | BKKLVUHOIGRFIR-UHFFFAOYSA-N |
| TotalMolweight | 421.272 |
| Molweight | 421.272 |
| MonoisotopicMass | 420.038585 |
| CLogP | 7.415 |
| CLogS | -7.464 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.1 |
| Relative PSA | 0.15697 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -0.70746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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