N-[(E)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
Formula:C23H17N4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine |
| MolecularFormula | C23H17N4Br |
| Smiles | Brc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C23H17BrN4/c24-20-13-11-17(12-14-20)16-25-28-23-26-21(18-7-3-1-4-8-18)15-22(27-23)19-9-5-2-6-10-19/h1-16H,(H,26,27,28) |
| InChIK | IJYBZIUXKUAZCE-UHFFFAOYSA-N |
| TotalMolweight | 429.32 |
| Molweight | 429.32 |
| MonoisotopicMass | 428.063657 |
| CLogP | 7.8728 |
| CLogS | -6.806 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.91 |
| Relative PSA | 0.14729 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine | 2 - N-[(E)-(4-bromophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
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