2-(4-bromophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
Formula:C23H16N4BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine |
| MolecularFormula | C23H16N4BrF |
| Smiles | Fc1cccc(/C=N\Nc2cc(-c3ccccc3)nc(-c(cc3)ccc3Br)n2)c1 |
| InChI | InChI=1S/C23H16BrFN4/c24-19-11-9-18(10-12-19)23-27-21(17-6-2-1-3-7-17)14-22(28-23)29-26-15-16-5-4-8-20(25)13-16/h1-15H,(H,27,28,29) |
| InChIK | GYCLWOGZMAPNDQ-UHFFFAOYSA-N |
| TotalMolweight | 447.31 |
| Molweight | 447.31 |
| MonoisotopicMass | 446.054235 |
| CLogP | 7.8483 |
| CLogS | -7.741 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.26 |
| Relative PSA | 0.14428 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -0.70746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-bromophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine | 2 - 2-(4-bromophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
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