4-(4-bromophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine
Formula:C23H12N4BrF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-bromophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | 4-(4-bromophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine |
| MolecularFormula | C23H12N4BrF5 |
| Smiles | Fc(c(/C=N\Nc1nc(-c2ccccc2)cc(-c(cc2)ccc2Br)n1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C23H12BrF5N4/c24-14-8-6-13(7-9-14)17-10-16(12-4-2-1-3-5-12)31-23(32-17)33-30-11-15-18(25)20(27)22(29)21(28)19(15)26/h1-11H,(H,31,32,33) |
| InChIK | AADWRCAALNBYPY-UHFFFAOYSA-N |
| TotalMolweight | 519.27 |
| Molweight | 519.27 |
| MonoisotopicMass | 518.016547 |
| CLogP | 8.3768 |
| CLogS | -8.376 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 336.66 |
| Relative PSA | 0.1334 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -0.70746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-(4-bromophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine | 2 - 4-(4-bromophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-phenylpyrimidin-2-amine
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