4-(4-bromophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-6-phenylpyrimidin-2-amine
Formula:C23H16N5O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-bromophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-6-phenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | 4-(4-bromophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-6-phenylpyrimidin-2-amine |
| MolecularFormula | C23H16N5O2Br |
| Smiles | [O-][N+](c1c(/C=N\Nc2nc(-c3ccccc3)cc(-c(cc3)ccc3Br)n2)cccc1)=O |
| InChI | InChI=1S/C23H16BrN5O2/c24-19-12-10-17(11-13-19)21-14-20(16-6-2-1-3-7-16)26-23(27-21)28-25-15-18-8-4-5-9-22(18)29(30)31/h1-15H,(H,26,27,28) |
| InChIK | KPIIDQFDYMZVKO-UHFFFAOYSA-N |
| TotalMolweight | 474.317 |
| Molweight | 474.317 |
| MonoisotopicMass | 473.048736 |
| CLogP | 6.9512 |
| CLogS | -7.266 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.58 |
| Relative PSA | 0.22926 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -4.9221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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